(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol

C21H24F3NO — CID 59628696

IUPAC(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol
SMILESCc1cc(C)cc(C(O)(c2cc(C)cc(C(F)(F)F)c2)[C@H]2CCCN2)c1
InChIInChI=1S/C21H24F3NO/c1-13-7-14(2)9-16(8-13)20(26,19-5-4-6-25-19)17-10-15(3)11-18(12-17)21(22,23)24/h7-12,19,25-26H,4-6H2,1-3H3/t19-,20?/m1/s1
InChIKeyRXVSCGNADZFUAJ-FIWHBWSRSA-N
MW363.42 g/mol
LogP4.62
Rot. Bonds3

About (3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol

(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol (PubChem CID 59628696) has the molecular formula C21H24F3NO and a molecular weight of 363.42 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol
PubChem CID59628696
Molecular FormulaC21H24F3NO
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC Name(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol
SMILESCc1cc(C)cc(C(O)(c2cc(C)cc(C(F)(F)F)c2)[C@H]2CCCN2)c1
InChIInChI=1S/C21H24F3NO/c1-13-7-14(2)9-16(8-13)20(26,19-5-4-6-25-19)17-10-15(3)11-18(12-17)21(22,23)24/h7-12,19,25-26H,4-6H2,1-3H3/t19-,20?/m1/s1
InChIKeyRXVSCGNADZFUAJ-FIWHBWSRSA-N
XLogP4.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol?
The IUPAC name of (3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol (CID 59628696) is (3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for (3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol?
The canonical SMILES for (3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol is Cc1cc(C)cc(C(O)(c2cc(C)cc(C(F)(F)F)c2)[C@H]2CCCN2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol?
The InChIKey is RXVSCGNADZFUAJ-FIWHBWSRSA-N. The full InChI is InChI=1S/C21H24F3NO/c1-13-7-14(2)9-16(8-13)20(26,19-5-4-6-25-19)17-10-15(3)11-18(12-17)21(22,23)24/h7-12,19,25-26H,4-6H2,1-3H3/t19-,20?/m1/s1.
What are the key properties of (3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol?
(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol has a molecular weight of 363.42 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 59628696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).