2-(2-chloro-4-fluorophenyl)acetic acid

C8H6ClFO2 — CID 2725061

IUPAC2-(2-chloro-4-fluorophenyl)acetic acid
SMILESO=C(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C8H6ClFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
InChIKeyCDUSPKFHAVQVRQ-UHFFFAOYSA-N
MW188.59 g/mol
LogP2.11
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)acetic acid

2-(2-chloro-4-fluorophenyl)acetic acid (PubChem CID 2725061) has the molecular formula C8H6ClFO2 and a molecular weight of 188.59 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)acetic acid
PubChem CID2725061
Molecular FormulaC8H6ClFO2
Molecular Weight188.59 g/mol
Exact Mass188.00
IUPAC Name2-(2-chloro-4-fluorophenyl)acetic acid
SMILESO=C(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C8H6ClFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
InChIKeyCDUSPKFHAVQVRQ-UHFFFAOYSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.59
LogP ≤ 52.11
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-fluorophenyl)acetic acid?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)acetic acid (CID 2725061) is 2-(2-chloro-4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)acetic acid?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)acetic acid is O=C(O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)acetic acid?
The InChIKey is CDUSPKFHAVQVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12).
What are the key properties of 2-(2-chloro-4-fluorophenyl)acetic acid?
2-(2-chloro-4-fluorophenyl)acetic acid has a molecular weight of 188.59 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)acetic acid is sourced from PubChem (CID 2725061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).