[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol

C7H12F3NO — CID 177157365

IUPAC[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESCN1CC(CO)C(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-11-2-5(4-12)6(3-11)7(8,9)10/h5-6,12H,2-4H2,1H3
InChIKeyOIJQMNBAVIZRMM-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.72
Rot. Bonds1

About [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol

[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (PubChem CID 177157365) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
PubChem CID177157365
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESCN1CC(CO)C(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-11-2-5(4-12)6(3-11)7(8,9)10/h5-6,12H,2-4H2,1H3
InChIKeyOIJQMNBAVIZRMM-UHFFFAOYSA-N
XLogP0.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-methyl-4-(trifluoromethyl)pyrrolidin-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-Ethylpyrrolidin-3-yl)methanol
CID 21702849
rac-((3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol
CID 70207388
((3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl)methanol
CID 134249504
[(3S)-1-methylpyrrolidin-3-yl]methanol hydrochloride
CID 154814266
((3R)-1-methylpyrrolidin-3-yl)methanol hydrochloride
CID 155819587
(S)-(1-Methylpyrrolidin-3-YL)methanol
CID 38988801
[4-(Trifluoromethyl)pyrrolidin-3-yl]methanol
CID 22911441
((3R,4R)-4-(Trifluoromethyl)pyrrolidin-3-yl)methanol
CID 53817071
2,2,2-Trifluoro-1-(1-methylpyrrolidin-3-yl)ethanol
CID 60007123
[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]methanol
CID 62370649
(3-Fluoro-1-methyl-pyrrolidin-3-yl)methanol
CID 84020607

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (CID 177157365) is [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is CN1CC(CO)C(C(F)(F)F)C1.
What is the InChIKey of [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The InChIKey is OIJQMNBAVIZRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11-2-5(4-12)6(3-11)7(8,9)10/h5-6,12H,2-4H2,1H3.
What are the key properties of [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol has a molecular weight of 183.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 177157365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).