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

C14H18F3NO — CID 124869795

IUPAC[(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESC[C@H]1CN(Cc2ccccc2)C[C@]1(CO)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-11-7-18(8-12-5-3-2-4-6-12)9-13(11,10-19)14(15,16)17/h2-6,11,19H,7-10H2,1H3/t11-,13+/m0/s1
InChIKeyYRQQNNUMEBZONG-WCQYABFASA-N
MW273.30 g/mol
LogP2.68
Rot. Bonds3

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

[(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol (PubChem CID 124869795) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
PubChem CID124869795
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESC[C@H]1CN(Cc2ccccc2)C[C@]1(CO)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-11-7-18(8-12-5-3-2-4-6-12)9-13(11,10-19)14(15,16)17/h2-6,11,19H,7-10H2,1H3/t11-,13+/m0/s1
InChIKeyYRQQNNUMEBZONG-WCQYABFASA-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

(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124678781
2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol
CID 167458365
[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
CID 124869781
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
(3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine
CID 124869772
methyl (3S,4S)-1-benzyl-3,4-dimethylpyrrolidine-3-carboxylate
CID 135055291
(3R,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 124633983
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol
CID 72524846
(3S,5R)-1-benzyl-4,4-difluoro-5-(hydroxymethyl)piperidin-3-ol
CID 42612420

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol (CID 124869795) is [(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol is C[C@H]1CN(Cc2ccccc2)C[C@]1(CO)C(F)(F)F.
What is the InChIKey of [(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The InChIKey is YRQQNNUMEBZONG-WCQYABFASA-N. The full InChI is InChI=1S/C14H18F3NO/c1-11-7-18(8-12-5-3-2-4-6-12)9-13(11,10-19)14(15,16)17/h2-6,11,19H,7-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of [(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-benzyl-4-methyl-3-(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-3-(trifluoromethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 124869795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).