2-chloro-2,2-difluoro-N-methyl-N-propylacetamide

C6H10ClF2NO — CID 131223041

IUPAC2-chloro-2,2-difluoro-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)C(F)(F)Cl
InChIInChI=1S/C6H10ClF2NO/c1-3-4-10(2)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyHTIDWWCUYQAQCV-UHFFFAOYSA-N
MW185.60 g/mol
LogP1.69
Rot. Bonds3

About 2-chloro-2,2-difluoro-N-methyl-N-propylacetamide

2-chloro-2,2-difluoro-N-methyl-N-propylacetamide (PubChem CID 131223041) has the molecular formula C6H10ClF2NO and a molecular weight of 185.60 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-methyl-N-propylacetamide
PubChem CID131223041
Molecular FormulaC6H10ClF2NO
Molecular Weight185.60 g/mol
Exact Mass185.04
IUPAC Name2-chloro-2,2-difluoro-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)C(F)(F)Cl
InChIInChI=1S/C6H10ClF2NO/c1-3-4-10(2)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyHTIDWWCUYQAQCV-UHFFFAOYSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.60
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide
CID 169289327
(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide
CID 155263043
2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 58971605
1-cyano-N-methyl-N-propylformamide
CID 115171945
2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide
CID 91721400
N-ethyl-2,2,2-trifluoro-N-methylacetamide
CID 57170952
(2R)-2-hydroxy-N-methyl-N-propylpropanamide
CID 130891820
2,2-difluoro-N-methoxy-N-methyltetradecanamide
CID 89479266
N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
CID 81483985
3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813770
2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569016
2-amino-3,3,3-trifluoro-2-methyl-N,N-dipropylpropanamide
CID 79791210

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-methyl-N-propylacetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-methyl-N-propylacetamide (CID 131223041) is 2-chloro-2,2-difluoro-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-methyl-N-propylacetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-methyl-N-propylacetamide is CCCN(C)C(=O)C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoro-N-methyl-N-propylacetamide?
The InChIKey is HTIDWWCUYQAQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2NO/c1-3-4-10(2)5(11)6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 2-chloro-2,2-difluoro-N-methyl-N-propylacetamide?
2-chloro-2,2-difluoro-N-methyl-N-propylacetamide has a molecular weight of 185.60 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-methyl-N-propylacetamide is sourced from PubChem (CID 131223041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).