2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid

C8H4ClF3O2 — CID 39058327

IUPAC2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H4ClF3O2/c9-5-3-4(1-2-6(5)10)8(11,12)7(13)14/h1-3H,(H,13,14)
InChIKeyDFBBKEDRIACDMM-UHFFFAOYSA-N
MW224.56 g/mol
LogP2.66
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid

2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid (PubChem CID 39058327) has the molecular formula C8H4ClF3O2 and a molecular weight of 224.56 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid
PubChem CID39058327
Molecular FormulaC8H4ClF3O2
Molecular Weight224.56 g/mol
Exact Mass223.99
IUPAC Name2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H4ClF3O2/c9-5-3-4(1-2-6(5)10)8(11,12)7(13)14/h1-3H,(H,13,14)
InChIKeyDFBBKEDRIACDMM-UHFFFAOYSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.56
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754391
2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
CID 79712096
2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene
CID 84662941
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913
2-(3-chlorophenyl)-2,2-difluoroacetic acid;2-(3,5-difluorophenyl)-2,2-difluoroacetic acid
CID 118541740
2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid
CID 39058323
3-(3-chloro-4-fluorophenyl)-3-(dimethylamino)butanoic acid
CID 64528554
4-amino-3-(3-chloro-4-fluorophenyl)-3,4-dimethylpentanoic acid
CID 66089545
(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
CID 131872455
2-(3-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 61340503
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569
ethyl 2-(3-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 83411281

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid (CID 39058327) is 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid?
The InChIKey is DFBBKEDRIACDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O2/c9-5-3-4(1-2-6(5)10)8(11,12)7(13)14/h1-3H,(H,13,14).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid?
2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid has a molecular weight of 224.56 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 39058327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).