[(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol

C7H12F3NO — CID 96868590

IUPAC[(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESC[C@]1(CO)CNC[C@H]1C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(4-12)3-11-2-5(6)7(8,9)10/h5,11-12H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyLVUQMXDIDLPOLD-PHDIDXHHSA-N
MW183.17 g/mol
LogP0.77
Rot. Bonds1

About [(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol

[(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (PubChem CID 96868590) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is [(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
PubChem CID96868590
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name[(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESC[C@]1(CO)CNC[C@H]1C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(4-12)3-11-2-5(6)7(8,9)10/h5,11-12H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyLVUQMXDIDLPOLD-PHDIDXHHSA-N
XLogP0.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3R,4S)-3-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

4-tert-butyl-3-methylpyrrolidin-3-ol
CID 115012307
4-methyl-4-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 116536139
4-tert-butyl-3,3-dimethylpyrrolidine
CID 121207422
3,3-dimethyl-4-(trifluoromethyl)piperidine
CID 86775311
(3S,4S)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 96868579
tert-butyl (3R,4R)-3-(hydroxymethyl)-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 124634045
(3R,4S)-3-ethyl-3,4-dimethylpyrrolidine
CID 130186897
(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
CID 84647976
(2-bromo-1-methylcyclopropyl)methanol
CID 12502936
4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
CID 156540150
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
(1,2-dimethylcyclopentyl)methanol
CID 544196

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (CID 96868590) is [(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is C[C@]1(CO)CNC[C@H]1C(F)(F)F.
What is the InChIKey of [(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The InChIKey is LVUQMXDIDLPOLD-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(4-12)3-11-2-5(6)7(8,9)10/h5,11-12H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of [(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
[(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol has a molecular weight of 183.17 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 96868590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).