2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid

C15H10ClF3O2 — CID 134625865

IUPAC2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3O2/c16-13-7-9(5-6-10(13)8-14(20)21)11-3-1-2-4-12(11)15(17,18)19/h1-7H,8H2,(H,20,21)
InChIKeyWPUPPLUDRSZFMF-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.65
Rot. Bonds3

About 2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid

2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid (PubChem CID 134625865) has the molecular formula C15H10ClF3O2 and a molecular weight of 314.69 g/mol. Its IUPAC name is 2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
PubChem CID134625865
Molecular FormulaC15H10ClF3O2
Molecular Weight314.69 g/mol
Exact Mass314.03
IUPAC Name2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3O2/c16-13-7-9(5-6-10(13)8-14(20)21)11-3-1-2-4-12(11)15(17,18)19/h1-7H,8H2,(H,20,21)
InChIKeyWPUPPLUDRSZFMF-UHFFFAOYSA-N
XLogP4.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186
2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 118842268
4-[2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzonitrile
CID 57044335
2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride
CID 165350148
2-[3,5-dichloro-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623598
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 118803810
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
2-[4-[2-chloro-4-[2-(trifluoromethyl)phenyl]anilino]anilino]benzoic acid
CID 155134025
2-[4-(bromomethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 174684622
2-[6-chloro-5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 119022927
2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134626173

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid (CID 134625865) is 2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2ccccc2C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid?
The InChIKey is WPUPPLUDRSZFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O2/c16-13-7-9(5-6-10(13)8-14(20)21)11-3-1-2-4-12(11)15(17,18)19/h1-7H,8H2,(H,20,21).
What are the key properties of 2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid?
2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid has a molecular weight of 314.69 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 134625865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).