2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol

C6H12FNO — CID 68759390

IUPAC2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol
SMILESOC(CF)[C@H]1CCNC1
InChIInChI=1S/C6H12FNO/c7-3-6(9)5-1-2-8-4-5/h5-6,8-9H,1-4H2/t5-,6?/m0/s1
InChIKeySUYSMBMNHGBRGY-ZBHICJROSA-N
MW133.17 g/mol
LogP-0.07
Rot. Bonds2

About 2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol

2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol (PubChem CID 68759390) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol
PubChem CID68759390
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol
SMILESOC(CF)[C@H]1CCNC1
InChIInChI=1S/C6H12FNO/c7-3-6(9)5-1-2-8-4-5/h5-6,8-9H,1-4H2/t5-,6?/m0/s1
InChIKeySUYSMBMNHGBRGY-ZBHICJROSA-N
XLogP-0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol (CID 68759390) is 2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol is OC(CF)[C@H]1CCNC1.
What is the InChIKey of 2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol?
The InChIKey is SUYSMBMNHGBRGY-ZBHICJROSA-N. The full InChI is InChI=1S/C6H12FNO/c7-3-6(9)5-1-2-8-4-5/h5-6,8-9H,1-4H2/t5-,6?/m0/s1.
What are the key properties of 2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol?
2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol has a molecular weight of 133.17 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 68759390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).