2-(2,5-difluorophenyl)-2-methylbutanoyl chloride

C11H11ClF2O — CID 117047827

IUPAC2-(2,5-difluorophenyl)-2-methylbutanoyl chloride
SMILESCCC(C)(C(=O)Cl)c1cc(F)ccc1F
InChIInChI=1S/C11H11ClF2O/c1-3-11(2,10(12)15)8-6-7(13)4-5-9(8)14/h4-6H,3H2,1-2H3
InChIKeyZAONONYBQIRHRK-UHFFFAOYSA-N
MW232.66 g/mol
LogP3.40
Rot. Bonds3

About 2-(2,5-difluorophenyl)-2-methylbutanoyl chloride

2-(2,5-difluorophenyl)-2-methylbutanoyl chloride (PubChem CID 117047827) has the molecular formula C11H11ClF2O and a molecular weight of 232.66 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-methylbutanoyl chloride.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-methylbutanoyl chloride
PubChem CID117047827
Molecular FormulaC11H11ClF2O
Molecular Weight232.66 g/mol
Exact Mass232.05
IUPAC Name2-(2,5-difluorophenyl)-2-methylbutanoyl chloride
SMILESCCC(C)(C(=O)Cl)c1cc(F)ccc1F
InChIInChI=1S/C11H11ClF2O/c1-3-11(2,10(12)15)8-6-7(13)4-5-9(8)14/h4-6H,3H2,1-2H3
InChIKeyZAONONYBQIRHRK-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-methylbutanoyl chloride?
The IUPAC name of 2-(2,5-difluorophenyl)-2-methylbutanoyl chloride (CID 117047827) is 2-(2,5-difluorophenyl)-2-methylbutanoyl chloride.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-methylbutanoyl chloride?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-methylbutanoyl chloride is CCC(C)(C(=O)Cl)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-methylbutanoyl chloride?
The InChIKey is ZAONONYBQIRHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2O/c1-3-11(2,10(12)15)8-6-7(13)4-5-9(8)14/h4-6H,3H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-2-methylbutanoyl chloride?
2-(2,5-difluorophenyl)-2-methylbutanoyl chloride has a molecular weight of 232.66 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-methylbutanoyl chloride is sourced from PubChem (CID 117047827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).