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

C7H12F3NO — CID 177157260

IUPAC[(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESCN1C[C@H](CO)[C@@H](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/t5-,6+/m1/s1
InChIKeyOIJQMNBAVIZRMM-RITPCOANSA-N
MW183.17 g/mol
LogP0.72
Rot. Bonds1

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

[(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (PubChem CID 177157260) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is [(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
PubChem CID177157260
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name[(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESCN1C[C@H](CO)[C@@H](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/t5-,6+/m1/s1
InChIKeyOIJQMNBAVIZRMM-RITPCOANSA-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

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Related Compounds

[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
CID 147748171
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 97357366
(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
CID 172714934
3-[3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-3-oxopropanenitrile
CID 121202677
CID 58945024
CID 58945024
(4R)-3-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 142983672
ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol
CID 164904424
[(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987229
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
2-(hydroxymethyl)-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 90157614
3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine
CID 90382204

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (CID 177157260) is [(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is CN1C[C@H](CO)[C@@H](C(F)(F)F)C1.
What is the InChIKey of [(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The InChIKey is OIJQMNBAVIZRMM-RITPCOANSA-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/t5-,6+/m1/s1.
What are the key properties of [(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-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 [(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 177157260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).