2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid

C10H9ClF2O2 — CID 53429986

IUPAC2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid
SMILESCCc1c(Cl)cccc1C(F)(F)C(=O)O
InChIInChI=1S/C10H9ClF2O2/c1-2-6-7(4-3-5-8(6)11)10(12,13)9(14)15/h3-5H,2H2,1H3,(H,14,15)
InChIKeyZOZACSRYDUYGNP-UHFFFAOYSA-N
MW234.63 g/mol
LogP3.08
Rot. Bonds3

About 2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid

2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid (PubChem CID 53429986) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is 2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid
PubChem CID53429986
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid
SMILESCCc1c(Cl)cccc1C(F)(F)C(=O)O
InChIInChI=1S/C10H9ClF2O2/c1-2-6-7(4-3-5-8(6)11)10(12,13)9(14)15/h3-5H,2H2,1H3,(H,14,15)
InChIKeyZOZACSRYDUYGNP-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid (CID 53429986) is 2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid is CCc1c(Cl)cccc1C(F)(F)C(=O)O.
What is the InChIKey of 2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid?
The InChIKey is ZOZACSRYDUYGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c1-2-6-7(4-3-5-8(6)11)10(12,13)9(14)15/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid?
2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid has a molecular weight of 234.63 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-ethylphenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 53429986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).