[(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol

C8H16FNO — CID 177295287

IUPAC[(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol
SMILESCC(C)N1C[C@@H](CO)[C@H](F)C1
InChIInChI=1S/C8H16FNO/c1-6(2)10-3-7(5-11)8(9)4-10/h6-8,11H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyJUFLXRKXFZPXKT-JGVFFNPUSA-N
MW161.22 g/mol
LogP0.66
Rot. Bonds2

About [(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol

[(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol (PubChem CID 177295287) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol
PubChem CID177295287
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol
SMILESCC(C)N1C[C@@H](CO)[C@H](F)C1
InChIInChI=1S/C8H16FNO/c1-6(2)10-3-7(5-11)8(9)4-10/h6-8,11H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyJUFLXRKXFZPXKT-JGVFFNPUSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol 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 [(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol (CID 177295287) is [(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol is CC(C)N1C[C@@H](CO)[C@H](F)C1.
What is the InChIKey of [(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol?
The InChIKey is JUFLXRKXFZPXKT-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)10-3-7(5-11)8(9)4-10/h6-8,11H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of [(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol?
[(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol has a molecular weight of 161.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 177295287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).