(2R,4R)-4-Fluorooxan-2-ol

CAS Number: 62130-99-8
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O[C@@H](C1)OCC[C@H]1F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H9O2F
Molecular Weight
120.122
Drug-likeness
-2.2695
CAS
62130-99-8
InChI key
JLVFWKHOROSXSS-RFZPGFLSSA-N
SMILES
O[C@@H](C1)OCC[C@H]1F
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62130-99-8
Molecule Name (2R,4R)-4-Fluorooxan-2-ol
Molecular Formula C5H9O2F
SMILES O[C@@H](C1)OCC[C@H]1F
InChI InChI=1S/C5H9FO2/c6-4-1-2-8-5(7)3-4/h4-5,7H,1-3H2/t4-,5-/m1/s1
InChI Key JLVFWKHOROSXSS-RFZPGFLSSA-N
CanonicalSyTyLFy 680cd67172bfd350
TotalMolweight 120.122
Molecular Weight 120.122
MonoisotopicMass 120.058658
CLogP 0.3865
CLogS -1.258
H Acceptors 2
H Donors 1
TotalSurfaceArea 88.98
Relative PSA 0.25961
PolarSurfaceArea 29.46
Drug-likeness -2.2695
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.625
Molecula Flexibility 0.18928
Molecular Complexity 0.62123
Fragments 1
Non HAtoms 8
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 2
Rings Closures 1
Small Rings 1
Sp3Atoms 7
StereoCon this enantiomer

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