2,2-difluorobutanoyl chloride

C4H5ClF2O — CID 105428401

IUPAC2,2-difluorobutanoyl chloride
SMILESCCC(F)(F)C(=O)Cl
InChIInChI=1S/C4H5ClF2O/c1-2-4(6,7)3(5)8/h2H2,1H3
InChIKeyOVINGXOXBMDPQS-UHFFFAOYSA-N
MW142.53 g/mol
LogP1.80
Rot. Bonds2

About 2,2-difluorobutanoyl chloride

2,2-difluorobutanoyl chloride (PubChem CID 105428401) has the molecular formula C4H5ClF2O and a molecular weight of 142.53 g/mol. Its IUPAC name is 2,2-difluorobutanoyl chloride.

Molecular Properties

Compound Name2,2-difluorobutanoyl chloride
PubChem CID105428401
Molecular FormulaC4H5ClF2O
Molecular Weight142.53 g/mol
Exact Mass142.00
IUPAC Name2,2-difluorobutanoyl chloride
SMILESCCC(F)(F)C(=O)Cl
InChIInChI=1S/C4H5ClF2O/c1-2-4(6,7)3(5)8/h2H2,1H3
InChIKeyOVINGXOXBMDPQS-UHFFFAOYSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.53
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2-methylbutanedioyl dichloride
CID 19349889
2,2-dichloro-4,4-difluoro-3-oxohexanal
CID 134229742
2,2-difluoro-3-(4-methylphenyl)propanoyl chloride
CID 105473373
2-chloro-2-propylpentanoyl chloride
CID 14643541
ethyl 4-chloro-2,2-difluoro-4-oxobutanoate
CID 139536341
propyl 2,2-difluorobutanoate
CID 88537819
2-ethyl-2-(3-methylbutyl)propanedioyl dichloride
CID 22147568
2,2-difluoro-1-(2-fluorophenyl)butan-1-one
CID 140875241
1-methylethane-1,1,2-tricarbonyl chloride
CID 140524572
2,2-dichlorohexanoyl chloride
CID 20509297
3-carbonochloridoylpentan-3-ylphosphonic acid
CID 22349208
2-(trifluoromethyl)butanoyl chloride
CID 87603675

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobutanoyl chloride?
The IUPAC name of 2,2-difluorobutanoyl chloride (CID 105428401) is 2,2-difluorobutanoyl chloride.
What is the SMILES notation for 2,2-difluorobutanoyl chloride?
The canonical SMILES for 2,2-difluorobutanoyl chloride is CCC(F)(F)C(=O)Cl.
What is the InChIKey of 2,2-difluorobutanoyl chloride?
The InChIKey is OVINGXOXBMDPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClF2O/c1-2-4(6,7)3(5)8/h2H2,1H3.
What are the key properties of 2,2-difluorobutanoyl chloride?
2,2-difluorobutanoyl chloride has a molecular weight of 142.53 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutanoyl chloride is sourced from PubChem (CID 105428401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).