1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol

C8H16FNO — CID 131089067

IUPAC1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC(O)CN1CCC(C)(F)C1
InChIInChI=1S/C8H16FNO/c1-7(11)5-10-4-3-8(2,9)6-10/h7,11H,3-6H2,1-2H3
InChIKeyDTDLHMWHLRCGAQ-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds2

About 1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol

1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol (PubChem CID 131089067) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol
PubChem CID131089067
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC(O)CN1CCC(C)(F)C1
InChIInChI=1S/C8H16FNO/c1-7(11)5-10-4-3-8(2,9)6-10/h7,11H,3-6H2,1-2H3
InChIKeyDTDLHMWHLRCGAQ-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol 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

alpha-Methyl-1-pyrrolidineethanol
CID 99015
3,3-Dimethyl-1-pyrrolidin-1-ylbutan-2-ol
CID 16193323
3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-2-ol
CID 3293124
2-(3,4-Dimethylpyrrolidin-1-yl)ethan-1-ol
CID 3048267
1-(2-Methylpropyl)pyrrolidin-3-ol
CID 20672251
(3S)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 57561797
(3R)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 89708588
(2S)-1-(pyrrolidin-1-yl)propan-2-ol
CID 12767869
1-(1-Fluoroethyl)pyrrolidin-3-ol
CID 22438903
1-(3-Fluoropyrrolidin-1-yl)-4,4-dimethylpentan-2-ol
CID 58530503
(3R)-1-(1-fluoroethyl)pyrrolidin-3-ol
CID 67683921
1-Ethyl-4-fluoropyrrolidin-3-ol
CID 67769755

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol (CID 131089067) is 1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol is CC(O)CN1CCC(C)(F)C1.
What is the InChIKey of 1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is DTDLHMWHLRCGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(11)5-10-4-3-8(2,9)6-10/h7,11H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol?
1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 131089067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).