4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid

C25H21F6NO2 — CID 25264488

IUPAC4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid
SMILESCC(C)CC(C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C25H21F6NO2/c1-14(2)9-21(23(33)34)17-10-16(15-3-5-19(6-4-15)24(26,27)28)11-18(12-17)22-8-7-20(13-32-22)25(29,30)31/h3-8,10-14,21H,9H2,1-2H3,(H,33,34)
InChIKeyRUUNCDFLBBLSRU-UHFFFAOYSA-N
MW481.44 g/mol
LogP7.67
Rot. Bonds6

About 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid

4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid (PubChem CID 25264488) has the molecular formula C25H21F6NO2 and a molecular weight of 481.44 g/mol. Its IUPAC name is 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid
PubChem CID25264488
Molecular FormulaC25H21F6NO2
Molecular Weight481.44 g/mol
Exact Mass481.15
IUPAC Name4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid
SMILESCC(C)CC(C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C25H21F6NO2/c1-14(2)9-21(23(33)34)17-10-16(15-3-5-19(6-4-15)24(26,27)28)11-18(12-17)22-8-7-20(13-32-22)25(29,30)31/h3-8,10-14,21H,9H2,1-2H3,(H,33,34)
InChIKeyRUUNCDFLBBLSRU-UHFFFAOYSA-N
XLogP7.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.44
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid (CID 25264488) is 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid is CC(C)CC(C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid?
The InChIKey is RUUNCDFLBBLSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6NO2/c1-14(2)9-21(23(33)34)17-10-16(15-3-5-19(6-4-15)24(26,27)28)11-18(12-17)22-8-7-20(13-32-22)25(29,30)31/h3-8,10-14,21H,9H2,1-2H3,(H,33,34).
What are the key properties of 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid?
4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid has a molecular weight of 481.44 g/mol, XLogP of 7.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentanoic acid is sourced from PubChem (CID 25264488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).