4-chloro-N-ethyl-4,4-difluorobutanamide

C6H10ClF2NO — CID 54472121

IUPAC4-chloro-N-ethyl-4,4-difluorobutanamide
SMILESCCNC(=O)CCC(F)(F)Cl
InChIInChI=1S/C6H10ClF2NO/c1-2-10-5(11)3-4-6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeyXJBQQNZWMMKGGF-UHFFFAOYSA-N
MW185.60 g/mol
LogP1.73
Rot. Bonds4

About 4-chloro-N-ethyl-4,4-difluorobutanamide

4-chloro-N-ethyl-4,4-difluorobutanamide (PubChem CID 54472121) has the molecular formula C6H10ClF2NO and a molecular weight of 185.60 g/mol. Its IUPAC name is 4-chloro-N-ethyl-4,4-difluorobutanamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-4,4-difluorobutanamide
PubChem CID54472121
Molecular FormulaC6H10ClF2NO
Molecular Weight185.60 g/mol
Exact Mass185.04
IUPAC Name4-chloro-N-ethyl-4,4-difluorobutanamide
SMILESCCNC(=O)CCC(F)(F)Cl
InChIInChI=1S/C6H10ClF2NO/c1-2-10-5(11)3-4-6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeyXJBQQNZWMMKGGF-UHFFFAOYSA-N
XLogP1.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.60
LogP ≤ 51.73
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-ethyl-4,4-difluorobutanamide?
The IUPAC name of 4-chloro-N-ethyl-4,4-difluorobutanamide (CID 54472121) is 4-chloro-N-ethyl-4,4-difluorobutanamide.
What is the SMILES notation for 4-chloro-N-ethyl-4,4-difluorobutanamide?
The canonical SMILES for 4-chloro-N-ethyl-4,4-difluorobutanamide is CCNC(=O)CCC(F)(F)Cl.
What is the InChIKey of 4-chloro-N-ethyl-4,4-difluorobutanamide?
The InChIKey is XJBQQNZWMMKGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2NO/c1-2-10-5(11)3-4-6(7,8)9/h2-4H2,1H3,(H,10,11).
What are the key properties of 4-chloro-N-ethyl-4,4-difluorobutanamide?
4-chloro-N-ethyl-4,4-difluorobutanamide has a molecular weight of 185.60 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-4,4-difluorobutanamide is sourced from PubChem (CID 54472121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).