(1R,2R)-2-Fluorocyclopentan-1-ol

CAS Number: 13378-44-4
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O[C@H](CCC1)[C@@H]1F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H9OF
Molecular Weight
104.123
Drug-likeness
-4.2781
CAS
13378-44-4
InChI key
BDIRIPRHYULGQH-RFZPGFLSSA-N
SMILES
O[C@H](CCC1)[C@@H]1F
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 13378-44-4
Molecule Name (1R,2R)-2-Fluorocyclopentan-1-ol
Molecular Formula C5H9OF
SMILES O[C@H](CCC1)[C@@H]1F
InChI InChI=1S/C5H9FO/c6-4-2-1-3-5(4)7/h4-5,7H,1-3H2/t4-,5-/m1/s1
InChI Key BDIRIPRHYULGQH-RFZPGFLSSA-N
CanonicalSyTyLFy 6881ce9d55e26872
TotalMolweight 104.123
Molecular Weight 104.123
MonoisotopicMass 104.063743
CLogP 0.7069
CLogS -1.664
H Acceptors 1
H Donors 1
TotalSurfaceArea 78.98
Relative PSA 0.16586
PolarSurfaceArea 20.23
Drug-likeness -4.2781
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecular Complexity 0.7993
Fragments 1
Non HAtoms 7
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 2
Rings Closures 1
Small Rings 1
Sp3Atoms 6
StereoCon this enantiomer

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