[(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol

C13H16F3NO — CID 143518892

IUPAC[(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(N2CCC[C@@H]2CO)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-9-4-5-10(7-12(9)13(14,15)16)17-6-2-3-11(17)8-18/h4-5,7,11,18H,2-3,6,8H2,1H3/t11-/m1/s1
InChIKeySWTYYQKCRNOBOE-LLVKDONJSA-N
MW259.27 g/mol
LogP2.97
Rot. Bonds2

About [(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol

[(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol (PubChem CID 143518892) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is [(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
PubChem CID143518892
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name[(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(N2CCC[C@@H]2CO)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-9-4-5-10(7-12(9)13(14,15)16)17-6-2-3-11(17)8-18/h4-5,7,11,18H,2-3,6,8H2,1H3/t11-/m1/s1
InChIKeySWTYYQKCRNOBOE-LLVKDONJSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 67085949
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689
2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol
CID 117028541
2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 71166795
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonic acid
CID 91451326
4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol
CID 68535089
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365
[1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol
CID 117028012
2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 79406259
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 62134031
1-[4-methyl-3-(trifluoromethyl)phenyl]-4-propylazepane
CID 162613283
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635458

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol (CID 143518892) is [(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol is Cc1ccc(N2CCC[C@@H]2CO)cc1C(F)(F)F.
What is the InChIKey of [(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol?
The InChIKey is SWTYYQKCRNOBOE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9-4-5-10(7-12(9)13(14,15)16)17-6-2-3-11(17)8-18/h4-5,7,11,18H,2-3,6,8H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol has a molecular weight of 259.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 143518892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).