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

C6H12FNO — CID 170903721

IUPAC[(3R,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+/m1/s1
InChIKeyHBRJQLSQSFVPHW-RITPCOANSA-N
MW133.17 g/mol
LogP-0.12
Rot. Bonds1

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

[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol (PubChem CID 170903721) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is [(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
PubChem CID170903721
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name[(3R,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+/m1/s1
InChIKeyHBRJQLSQSFVPHW-RITPCOANSA-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 [(3R,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

(1-Methylpyrrolidin-3-yl)methanol
CID 295970
(1-Isopropylpyrrolidin-3-yl)methanol
CID 16641305
3-(3-Fluoropyrrolidin-1-yl)propan-1-ol
CID 17980545
(1-Ethylpyrrolidin-3-yl)methanol
CID 21702849
((3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl)methanol
CID 134249504
1-Methylpyrrolidin-2-ol
CID 111279
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
[(3S)-1-methylpyrrolidin-3-yl]methanol hydrochloride
CID 154814266
((3R)-1-methylpyrrolidin-3-yl)methanol hydrochloride
CID 155819587
2-Methyl-4-(3-methyl-1-pyrrolidinyl)-1-butanol
CID 10057969
Hydroxyl ethyl pyrrolidine
CID 13726424
(S)-(1-Methylpyrrolidin-3-YL)methanol
CID 38988801

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol (CID 170903721) is [(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol is CN1C[C@H](CO)[C@@H](F)C1.
What is the InChIKey of [(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is HBRJQLSQSFVPHW-RITPCOANSA-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+/m1/s1.
What are the key properties of [(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol?
[(3R,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 [(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 170903721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).