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

C15H10ClF3O3 — CID 134626173

IUPAC2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C15H10ClF3O3/c16-13-7-10(1-2-11(13)8-14(20)21)9-3-5-12(6-4-9)22-15(17,18)19/h1-7H,8H2,(H,20,21)
InChIKeyPQMCBLNTMUOBJL-UHFFFAOYSA-N
MW330.69 g/mol
LogP4.53
Rot. Bonds4

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

2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid (PubChem CID 134626173) has the molecular formula C15H10ClF3O3 and a molecular weight of 330.69 g/mol. Its IUPAC name is 2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
PubChem CID134626173
Molecular FormulaC15H10ClF3O3
Molecular Weight330.69 g/mol
Exact Mass330.03
IUPAC Name2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C15H10ClF3O3/c16-13-7-10(1-2-11(13)8-14(20)21)9-3-5-12(6-4-9)22-15(17,18)19/h1-7H,8H2,(H,20,21)
InChIKeyPQMCBLNTMUOBJL-UHFFFAOYSA-N
XLogP4.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175
1-bromo-3-[2-chloro-4-(trifluoromethoxy)phenyl]propan-2-one
CID 134616227
2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid
CID 176516224
2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134628691
2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134620292
methyl 2-[2-amino-4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 154815090
2-[2-oxo-3-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
CID 133091656
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 66849645
2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134625865
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301
2-(carboxymethyl)-5-(3,4-dichlorophenoxy)-4-[4-(trifluoromethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 69468111

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid (CID 134626173) is 2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid?
The InChIKey is PQMCBLNTMUOBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O3/c16-13-7-10(1-2-11(13)8-14(20)21)9-3-5-12(6-4-9)22-15(17,18)19/h1-7H,8H2,(H,20,21).
What are the key properties of 2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid?
2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid has a molecular weight of 330.69 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid is sourced from PubChem (CID 134626173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).