2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid

C16H10F6O2 — CID 23005221

IUPAC2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H10F6O2/c17-15(18,19)12-6-11(7-13(8-12)16(20,21)22)10-3-1-9(2-4-10)5-14(23)24/h1-4,6-8H,5H2,(H,23,24)
InChIKeyQXUJSELRLOECDC-UHFFFAOYSA-N
MW348.24 g/mol
LogP5.02
Rot. Bonds3

About 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid

2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid (PubChem CID 23005221) has the molecular formula C16H10F6O2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
PubChem CID23005221
Molecular FormulaC16H10F6O2
Molecular Weight348.24 g/mol
Exact Mass348.06
IUPAC Name2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H10F6O2/c17-15(18,19)12-6-11(7-13(8-12)16(20,21)22)10-3-1-9(2-4-10)5-14(23)24/h1-4,6-8H,5H2,(H,23,24)
InChIKeyQXUJSELRLOECDC-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid (CID 23005221) is 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid?
The InChIKey is QXUJSELRLOECDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O2/c17-15(18,19)12-6-11(7-13(8-12)16(20,21)22)10-3-1-9(2-4-10)5-14(23)24/h1-4,6-8H,5H2,(H,23,24).
What are the key properties of 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid?
2-[4-[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-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 23005221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).