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

C9H7ClF2O3 — CID 79712096

IUPAC2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
SMILESCOc1cc(C(F)(F)C(=O)O)ccc1Cl
InChIInChI=1S/C9H7ClF2O3/c1-15-7-4-5(2-3-6(7)10)9(11,12)8(13)14/h2-4H,1H3,(H,13,14)
InChIKeyZHZJLBVTDJDGQU-UHFFFAOYSA-N
MW236.60 g/mol
LogP2.53
Rot. Bonds3

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

2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid (PubChem CID 79712096) has the molecular formula C9H7ClF2O3 and a molecular weight of 236.60 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
PubChem CID79712096
Molecular FormulaC9H7ClF2O3
Molecular Weight236.60 g/mol
Exact Mass236.01
IUPAC Name2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
SMILESCOc1cc(C(F)(F)C(=O)O)ccc1Cl
InChIInChI=1S/C9H7ClF2O3/c1-15-7-4-5(2-3-6(7)10)9(11,12)8(13)14/h2-4H,1H3,(H,13,14)
InChIKeyZHZJLBVTDJDGQU-UHFFFAOYSA-N
XLogP2.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid
CID 39058323
2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid
CID 39058327
3-(4-chloro-3-methoxyphenyl)-3,3-difluoropropanal
CID 142387180
1-(4-chloro-3-methoxyphenyl)-1-phenylethanol
CID 79711700
2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine
CID 112566367
1-bromo-3-(4-chloro-3-methoxyphenyl)-3-methylbutan-2-one
CID 88578697
4-(4-chloro-3-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal
CID 174466804
(3R)-2-(4-chloro-3-methoxyphenyl)-4,4,4-trifluoro-3-methylbutanoic acid
CID 89455491
1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 79697694
2-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896
2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
CID 22575053
1-(4-chloro-3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768215

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid (CID 79712096) is 2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid is COc1cc(C(F)(F)C(=O)O)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid?
The InChIKey is ZHZJLBVTDJDGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O3/c1-15-7-4-5(2-3-6(7)10)9(11,12)8(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid?
2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid has a molecular weight of 236.60 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 79712096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).