2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid

C14H9ClF2O2 — CID 176516224

IUPAC2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C14H9ClF2O2/c15-13-5-8(1-2-9(13)6-14(18)19)10-3-11(16)7-12(17)4-10/h1-5,7H,6H2,(H,18,19)
InChIKeyLAAWYKOWZLYRGG-UHFFFAOYSA-N
MW282.67 g/mol
LogP3.91
Rot. Bonds3

About 2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid

2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid (PubChem CID 176516224) has the molecular formula C14H9ClF2O2 and a molecular weight of 282.67 g/mol. Its IUPAC name is 2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid
PubChem CID176516224
Molecular FormulaC14H9ClF2O2
Molecular Weight282.67 g/mol
Exact Mass282.03
IUPAC Name2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C14H9ClF2O2/c15-13-5-8(1-2-9(13)6-14(18)19)10-3-11(16)7-12(17)4-10/h1-5,7H,6H2,(H,18,19)
InChIKeyLAAWYKOWZLYRGG-UHFFFAOYSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid (CID 176516224) is 2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid is O=C(O)Cc1ccc(-c2cc(F)cc(F)c2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid?
The InChIKey is LAAWYKOWZLYRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2/c15-13-5-8(1-2-9(13)6-14(18)19)10-3-11(16)7-12(17)4-10/h1-5,7H,6H2,(H,18,19).
What are the key properties of 2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid?
2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid has a molecular weight of 282.67 g/mol, XLogP of 3.91, 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-(3,5-difluorophenyl)phenyl]acetic acid is sourced from PubChem (CID 176516224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).