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

C14H18F3NO — CID 124678781

IUPAC[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESC[C@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@@H]1CO
InChIInChI=1S/C14H18F3NO/c1-13(14(15,16)17)10-18(8-12(13)9-19)7-11-5-3-2-4-6-11/h2-6,12,19H,7-10H2,1H3/t12-,13+/m1/s1
InChIKeyGDPKXXOYAFTTGT-OLZOCXBDSA-N
MW273.30 g/mol
LogP2.68
Rot. Bonds3

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

[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (PubChem CID 124678781) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
PubChem CID124678781
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESC[C@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@@H]1CO
InChIInChI=1S/C14H18F3NO/c1-13(14(15,16)17)10-18(8-12(13)9-19)7-11-5-3-2-4-6-11/h2-6,12,19H,7-10H2,1H3/t12-,13+/m1/s1
InChIKeyGDPKXXOYAFTTGT-OLZOCXBDSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
CID 124869781
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
(3S,5R)-1-benzyl-4,4-difluoro-5-(hydroxymethyl)piperidin-3-ol
CID 42612420
[(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124869795
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
(3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine
CID 124869772
(3R,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 124633983
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
CID 70113914
tert-butyl (5R)-7-benzyl-5-(hydroxymethyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 155903866
2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol
CID 167458365
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (CID 124678781) is [(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is C[C@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The InChIKey is GDPKXXOYAFTTGT-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-13(14(15,16)17)10-18(8-12(13)9-19)7-11-5-3-2-4-6-11/h2-6,12,19H,7-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol has a molecular weight of 273.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 124678781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).