2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid

C16H10F6O2 — CID 118342919

IUPAC2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H10F6O2/c17-15(18,19)12-6-11(7-13(8-12)16(20,21)22)10-3-1-2-9(4-10)5-14(23)24/h1-4,6-8H,5H2,(H,23,24)
InChIKeyITNMVGIYOZPEGD-UHFFFAOYSA-N
MW348.24 g/mol
LogP5.02
Rot. Bonds3

About 2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid

2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid (PubChem CID 118342919) has the molecular formula C16H10F6O2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
PubChem CID118342919
Molecular FormulaC16H10F6O2
Molecular Weight348.24 g/mol
Exact Mass348.06
IUPAC Name2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H10F6O2/c17-15(18,19)12-6-11(7-13(8-12)16(20,21)22)10-3-1-2-9(4-10)5-14(23)24/h1-4,6-8H,5H2,(H,23,24)
InChIKeyITNMVGIYOZPEGD-UHFFFAOYSA-N
XLogP5.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.24
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369386
3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid
CID 53225363
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-[3-[4-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl]phenyl]acetic acid
CID 59219327
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 94303681
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718
2-[3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]acetic acid
CID 91875732
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
2-[3-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]phenyl]acetic acid
CID 59219227
2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid
CID 167442844

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid (CID 118342919) is 2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid?
The InChIKey is ITNMVGIYOZPEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O2/c17-15(18,19)12-6-11(7-13(8-12)16(20,21)22)10-3-1-2-9(4-10)5-14(23)24/h1-4,6-8H,5H2,(H,23,24).
What are the key properties of 2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid?
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid has a molecular weight of 348.24 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 118342919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).