2-chloro-N-(4,4-difluorobutan-2-yl)acetamide

C6H10ClF2NO — CID 131206668

IUPAC2-chloro-N-(4,4-difluorobutan-2-yl)acetamide
SMILESCC(CC(F)F)NC(=O)CCl
InChIInChI=1S/C6H10ClF2NO/c1-4(2-5(8)9)10-6(11)3-7/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyFKZMKRNJPHQCEH-UHFFFAOYSA-N
MW185.60 g/mol
LogP1.39
Rot. Bonds4

About 2-chloro-N-(4,4-difluorobutan-2-yl)acetamide

2-chloro-N-(4,4-difluorobutan-2-yl)acetamide (PubChem CID 131206668) has the molecular formula C6H10ClF2NO and a molecular weight of 185.60 g/mol. Its IUPAC name is 2-chloro-N-(4,4-difluorobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4,4-difluorobutan-2-yl)acetamide
PubChem CID131206668
Molecular FormulaC6H10ClF2NO
Molecular Weight185.60 g/mol
Exact Mass185.04
IUPAC Name2-chloro-N-(4,4-difluorobutan-2-yl)acetamide
SMILESCC(CC(F)F)NC(=O)CCl
InChIInChI=1S/C6H10ClF2NO/c1-4(2-5(8)9)10-6(11)3-7/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyFKZMKRNJPHQCEH-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-methylethyl)acetamide
CID 76171
2-chloro-N-(propan-2-yl)propanamide
CID 4961779
2-chloro-N-cyclopropylacetamide
CID 735780
2-chloro-N-(2,2,2-trifluoroethyl)propanamide
CID 3799469
2-chloro-N-propylacetamide
CID 222357
2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 2369607
N-(butan-2-yl)-2-chloroacetamide
CID 3138632
2-chloro-N-(pentan-2-yl)acetamide
CID 4048512
2-chloro-N-cyclopropylpropanamide
CID 4520013
2-Chloro-N-(1-methylpropyl)propanamide
CID 14711532
2-chloro-2,2-difluoro-N-propan-2-ylacetamide
CID 16090043
(2R)-2-chloro-N-(2,2,2-trifluoroethyl)propanamide
CID 7127700

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4-difluorobutan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(4,4-difluorobutan-2-yl)acetamide (CID 131206668) is 2-chloro-N-(4,4-difluorobutan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4,4-difluorobutan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4,4-difluorobutan-2-yl)acetamide is CC(CC(F)F)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(4,4-difluorobutan-2-yl)acetamide?
The InChIKey is FKZMKRNJPHQCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2NO/c1-4(2-5(8)9)10-6(11)3-7/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-chloro-N-(4,4-difluorobutan-2-yl)acetamide?
2-chloro-N-(4,4-difluorobutan-2-yl)acetamide has a molecular weight of 185.60 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,4-difluorobutan-2-yl)acetamide is sourced from PubChem (CID 131206668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).