2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid

C16H13F3O2 — CID 11507608

IUPAC2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O2/c1-10(15(20)21)11-2-4-12(5-3-11)13-6-8-14(9-7-13)16(17,18)19/h2-10H,1H3,(H,20,21)
InChIKeyXEHXGRZQFPFESG-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.56
Rot. Bonds3

About 2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid

2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid (PubChem CID 11507608) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid
PubChem CID11507608
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O2/c1-10(15(20)21)11-2-4-12(5-3-11)13-6-8-14(9-7-13)16(17,18)19/h2-10H,1H3,(H,20,21)
InChIKeyXEHXGRZQFPFESG-UHFFFAOYSA-N
XLogP4.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid (CID 11507608) is 2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid is CC(C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid?
The InChIKey is XEHXGRZQFPFESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-10(15(20)21)11-2-4-12(5-3-11)13-6-8-14(9-7-13)16(17,18)19/h2-10H,1H3,(H,20,21).
What are the key properties of 2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid?
2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid has a molecular weight of 294.27 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid is sourced from PubChem (CID 11507608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).