2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid

C10H9ClF2O3 — CID 43651972

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid
SMILESCc1cc(OC(F)(F)C(=O)O)cc(C)c1Cl
InChIInChI=1S/C10H9ClF2O3/c1-5-3-7(4-6(2)8(5)11)16-10(12,13)9(14)15/h3-4H,1-2H3,(H,14,15)
InChIKeyRORCJKACSGIYHS-UHFFFAOYSA-N
MW250.63 g/mol
LogP3.01
Rot. Bonds3

About 2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid

2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid (PubChem CID 43651972) has the molecular formula C10H9ClF2O3 and a molecular weight of 250.63 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid
PubChem CID43651972
Molecular FormulaC10H9ClF2O3
Molecular Weight250.63 g/mol
Exact Mass250.02
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid
SMILESCc1cc(OC(F)(F)C(=O)O)cc(C)c1Cl
InChIInChI=1S/C10H9ClF2O3/c1-5-3-7(4-6(2)8(5)11)16-10(12,13)9(14)15/h3-4H,1-2H3,(H,14,15)
InChIKeyRORCJKACSGIYHS-UHFFFAOYSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3,5-dimethylphenyl) trifluoromethanesulfonate
CID 135085815
2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride
CID 46779617
2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid
CID 79357786
(4-chloro-3,5-dimethylphenyl) 2,2-dichloroacetate
CID 19170504
2-methyl-2-(3,4,5-trichlorophenoxy)propanoic acid
CID 134123516
4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]benzoic acid
CID 175656993
(2S)-2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 40579734
2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 13218780
(4-chloro-3,5-dimethylphenyl) N-chlorosulfonylcarbamate
CID 116799118
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2,2,2-trifluoroacetic acid
CID 21195895
2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
CID 43369927
(4-chloro-3,5-dimethylphenyl) 2-(4-chloro-3,5-dimethylphenoxy)acetate
CID 19170867

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid (CID 43651972) is 2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid is Cc1cc(OC(F)(F)C(=O)O)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid?
The InChIKey is RORCJKACSGIYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O3/c1-5-3-7(4-6(2)8(5)11)16-10(12,13)9(14)15/h3-4H,1-2H3,(H,14,15).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid?
2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid has a molecular weight of 250.63 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid is sourced from PubChem (CID 43651972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).