3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid

C9H6ClF3O2 — CID 162738183

IUPAC3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)Cc1cccc(F)c1Cl
InChIInChI=1S/C9H6ClF3O2/c10-7-5(2-1-3-6(7)11)4-9(12,13)8(14)15/h1-3H,4H2,(H,14,15)
InChIKeyDXPOGXASMGHCHB-UHFFFAOYSA-N
MW238.59 g/mol
LogP2.74
Rot. Bonds3

About 3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid

3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid (PubChem CID 162738183) has the molecular formula C9H6ClF3O2 and a molecular weight of 238.59 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid
PubChem CID162738183
Molecular FormulaC9H6ClF3O2
Molecular Weight238.59 g/mol
Exact Mass238.00
IUPAC Name3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)Cc1cccc(F)c1Cl
InChIInChI=1S/C9H6ClF3O2/c10-7-5(2-1-3-6(7)11)4-9(12,13)8(14)15/h1-3H,4H2,(H,14,15)
InChIKeyDXPOGXASMGHCHB-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.59
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methyl]-2-phenylbutanoic acid
CID 115983256
1-(2-chloro-3-fluorophenyl)-6,6,6-trifluoro-2-methylhexan-2-ol
CID 116535931
3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid
CID 165497152
2-[(2-chloro-3-fluorophenyl)methyl]-2-ethoxycarbonylbutanoic acid
CID 103974393
1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939
4-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutanal
CID 112653106
1-(2-chloro-3-fluorophenyl)-3-(ethylamino)-3-methylbutan-2-one
CID 116566201
1-(2-chloro-3-fluorophenyl)-2-methylheptan-2-ol
CID 112653134
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
1-(2-chloro-3-fluorophenyl)-2-phenylpentan-2-ol
CID 115983354

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid (CID 162738183) is 3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid is O=C(O)C(F)(F)Cc1cccc(F)c1Cl.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid?
The InChIKey is DXPOGXASMGHCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3O2/c10-7-5(2-1-3-6(7)11)4-9(12,13)8(14)15/h1-3H,4H2,(H,14,15).
What are the key properties of 3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid?
3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid has a molecular weight of 238.59 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid is sourced from PubChem (CID 162738183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).