4-chloro-N-(2,2-difluoroethyl)butanamide

C6H10ClF2NO — CID 115406166

IUPAC4-chloro-N-(2,2-difluoroethyl)butanamide
SMILESO=C(CCCCl)NCC(F)F
InChIInChI=1S/C6H10ClF2NO/c7-3-1-2-6(11)10-4-5(8)9/h5H,1-4H2,(H,10,11)
InChIKeyVOFDOBFAWXWXSU-UHFFFAOYSA-N
MW185.60 g/mol
LogP1.39
Rot. Bonds5

About 4-chloro-N-(2,2-difluoroethyl)butanamide

4-chloro-N-(2,2-difluoroethyl)butanamide (PubChem CID 115406166) has the molecular formula C6H10ClF2NO and a molecular weight of 185.60 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluoroethyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluoroethyl)butanamide
PubChem CID115406166
Molecular FormulaC6H10ClF2NO
Molecular Weight185.60 g/mol
Exact Mass185.04
IUPAC Name4-chloro-N-(2,2-difluoroethyl)butanamide
SMILESO=C(CCCCl)NCC(F)F
InChIInChI=1S/C6H10ClF2NO/c7-3-1-2-6(11)10-4-5(8)9/h5H,1-4H2,(H,10,11)
InChIKeyVOFDOBFAWXWXSU-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.60
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-difluoroethyl)butanamide?
The IUPAC name of 4-chloro-N-(2,2-difluoroethyl)butanamide (CID 115406166) is 4-chloro-N-(2,2-difluoroethyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2,2-difluoroethyl)butanamide?
The canonical SMILES for 4-chloro-N-(2,2-difluoroethyl)butanamide is O=C(CCCCl)NCC(F)F.
What is the InChIKey of 4-chloro-N-(2,2-difluoroethyl)butanamide?
The InChIKey is VOFDOBFAWXWXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2NO/c7-3-1-2-6(11)10-4-5(8)9/h5H,1-4H2,(H,10,11).
What are the key properties of 4-chloro-N-(2,2-difluoroethyl)butanamide?
4-chloro-N-(2,2-difluoroethyl)butanamide has a molecular weight of 185.60 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-difluoroethyl)butanamide is sourced from PubChem (CID 115406166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).