(1R)-6-Fluoro-2,3-dihydro-1H-inden-1-amine

CAS Number: 790208-54-7
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N[C@H](CC1)c2c1ccc(F)c2
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C9H10NF
Molecular Weight
151.183
Drug-likeness
-3.8437
CAS
790208-54-7
InChI key
KZXWOWJBKSZXAL-SECBINFHSA-N
SMILES
N[C@H](CC1)c2c1ccc(F)c2
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 790208-54-7
Molecule Name (1R)-6-Fluoro-2,3-dihydro-1H-inden-1-amine
Molecular Formula C9H10NF
SMILES N[C@H](CC1)c2c1ccc(F)c2
InChI InChI=1S/C9H10FN/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,9H,2,4,11H2/t9-/m1/s1
InChI Key KZXWOWJBKSZXAL-SECBINFHSA-N
CanonicalSyTyLFy f6aba7fd72c73bf6
TotalMolweight 151.183
Molecular Weight 151.183
MonoisotopicMass 151.079727
CLogP 1.4514
CLogS -2.28
H Acceptors 1
H Donors 1
TotalSurfaceArea 114.65
Relative PSA 0.13319
PolarSurfaceArea 26.02
Drug-likeness -3.8437
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.54545
Molecular Complexity 0.74044
Fragments 1
Non HAtoms 11
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon this enantiomer

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