(1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol

C6H12FNO2 — CID 14888494

IUPAC(1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol
SMILESN[C@H]1C[C@H](O)[C@@H](CO)[C@@H]1F
InChIInChI=1S/C6H12FNO2/c7-6-3(2-9)5(10)1-4(6)8/h3-6,9-10H,1-2,8H2/t3-,4+,5+,6+/m1/s1
InChIKeyFQDAIHCYCLVJCH-VANKVMQKSA-N
MW149.16 g/mol
LogP-0.98
Rot. Bonds1

About (1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol

(1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 14888494) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is (1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID14888494
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name(1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol
SMILESN[C@H]1C[C@H](O)[C@@H](CO)[C@@H]1F
InChIInChI=1S/C6H12FNO2/c7-6-3(2-9)5(10)1-4(6)8/h3-6,9-10H,1-2,8H2/t3-,4+,5+,6+/m1/s1
InChIKeyFQDAIHCYCLVJCH-VANKVMQKSA-N
XLogP-0.98
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol (CID 14888494) is (1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol is N[C@H]1C[C@H](O)[C@@H](CO)[C@@H]1F.
What is the InChIKey of (1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is FQDAIHCYCLVJCH-VANKVMQKSA-N. The full InChI is InChI=1S/C6H12FNO2/c7-6-3(2-9)5(10)1-4(6)8/h3-6,9-10H,1-2,8H2/t3-,4+,5+,6+/m1/s1.
What are the key properties of (1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol?
(1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 149.16 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4S)-4-amino-3-fluoro-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 14888494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).