2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid

C15H10F4O3 — CID 134620292

IUPAC2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C15H10F4O3/c16-13-7-9(8-14(20)21)1-6-12(13)10-2-4-11(5-3-10)22-15(17,18)19/h1-7H,8H2,(H,20,21)
InChIKeyNKOPGXDKJPGCNO-UHFFFAOYSA-N
MW314.23 g/mol
LogP4.02
Rot. Bonds4

About 2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid

2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid (PubChem CID 134620292) has the molecular formula C15H10F4O3 and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
PubChem CID134620292
Molecular FormulaC15H10F4O3
Molecular Weight314.23 g/mol
Exact Mass314.06
IUPAC Name2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C15H10F4O3/c16-13-7-9(8-14(20)21)1-6-12(13)10-2-4-11(5-3-10)22-15(17,18)19/h1-7H,8H2,(H,20,21)
InChIKeyNKOPGXDKJPGCNO-UHFFFAOYSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[[3-fluoro-4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]methyl]-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 118260647
2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid
CID 118827528
2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134626173
2-fluoro-4-[9-[3-fluoro-4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]nonyl]-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 118260684
2-fluoro-4-[2-(4-iodocyclohexyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]benzene
CID 154527598
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301
2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 134631328
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
2-oxo-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 16790000
2-[4-iodo-3-(trifluoromethoxy)phenyl]acetic acid
CID 170998285
5-[4-[4-(trifluoromethoxy)phenyl]phenyl]pentanoic acid
CID 68891418
2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 103694068

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid (CID 134620292) is 2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid?
The InChIKey is NKOPGXDKJPGCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O3/c16-13-7-9(8-14(20)21)1-6-12(13)10-2-4-11(5-3-10)22-15(17,18)19/h1-7H,8H2,(H,20,21).
What are the key properties of 2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid?
2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid has a molecular weight of 314.23 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid is sourced from PubChem (CID 134620292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).