[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol

C6H12FNO — CID 147748171

IUPAC[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
SMILESCN1C[C@@H](CO)[C@@H](F)C1
InChIInChI=1S/C6H12FNO/c1-8-2-5(4-9)6(7)3-8/h5-6,9H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyHBRJQLSQSFVPHW-WDSKDSINSA-N
MW133.17 g/mol
LogP-0.12
Rot. Bonds1

About [(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol

[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol (PubChem CID 147748171) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is [(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
PubChem CID147748171
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
SMILESCN1C[C@@H](CO)[C@@H](F)C1
InChIInChI=1S/C6H12FNO/c1-8-2-5(4-9)6(7)3-8/h5-6,9H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyHBRJQLSQSFVPHW-WDSKDSINSA-N
XLogP-0.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S,4R)-4-fluoro-1-methylpyrrolidin-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

Related Compounds

[(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 177157260
1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine
CID 130204302
(3S,4S)-3,4-difluoro-1-methylpyrrolidine
CID 70308023
(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
CID 172714934
2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 155049752
ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol
CID 164904424
2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol
CID 90337746
[(4R,4aS,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol
CID 163082209
(4R)-3-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 142983672
3-[[3-(cyclopropylmethyl)pyrrolidin-1-yl]methyl]-4-fluoro-1-methylpyrrolidine
CID 155181205
3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol
CID 129236515
10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol
CID 146675348

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol (CID 147748171) is [(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol is CN1C[C@@H](CO)[C@@H](F)C1.
What is the InChIKey of [(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is HBRJQLSQSFVPHW-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-2-5(4-9)6(7)3-8/h5-6,9H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of [(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol?
[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 133.17 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 147748171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).