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

C8H6ClFO2 — CID 2757563

IUPAC2-(4-chloro-2-fluorophenyl)acetic acid
SMILESO=C(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C8H6ClFO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChIKeyWKAZXGAJEGPUAY-UHFFFAOYSA-N
MW188.59 g/mol
LogP2.11
Rot. Bonds2

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

2-(4-chloro-2-fluorophenyl)acetic acid (PubChem CID 2757563) has the molecular formula C8H6ClFO2 and a molecular weight of 188.59 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)acetic acid
PubChem CID2757563
Molecular FormulaC8H6ClFO2
Molecular Weight188.59 g/mol
Exact Mass188.00
IUPAC Name2-(4-chloro-2-fluorophenyl)acetic acid
SMILESO=C(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C8H6ClFO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChIKeyWKAZXGAJEGPUAY-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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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
2-(4-chloro-2-fluorophenyl)acetohydrazide
CID 162677805
2-[(4-chloro-2-fluorophenyl)methylsulfonyl]acetic acid
CID 114849296
1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446096
3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid
CID 131151024
1-(4-chloro-2-fluorophenyl)-3,3,4,4,4-pentafluorobutan-2-one
CID 114038362
3-[(4-chloro-2-fluorophenyl)methyl-methylamino]propanoic acid
CID 115630959
2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid
CID 69113345
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
CID 114863220
1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
CID 114853895
3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)acetic acid?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)acetic acid (CID 2757563) is 2-(4-chloro-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)acetic acid is O=C(O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)acetic acid?
The InChIKey is WKAZXGAJEGPUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12).
What are the key properties of 2-(4-chloro-2-fluorophenyl)acetic acid?
2-(4-chloro-2-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-(4-chloro-2-fluorophenyl)acetic acid is sourced from PubChem (CID 2757563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).