2-chloro-N-(2,2-difluoroethyl)acetamide

C4H6ClF2NO — CID 115349396

IUPAC2-chloro-N-(2,2-difluoroethyl)acetamide
SMILESO=C(CCl)NCC(F)F
InChIInChI=1S/C4H6ClF2NO/c5-1-4(9)8-2-3(6)7/h3H,1-2H2,(H,8,9)
InChIKeyDABSPSSDKVBEMP-UHFFFAOYSA-N
MW157.55 g/mol
LogP0.61
Rot. Bonds3

About 2-chloro-N-(2,2-difluoroethyl)acetamide

2-chloro-N-(2,2-difluoroethyl)acetamide (PubChem CID 115349396) has the molecular formula C4H6ClF2NO and a molecular weight of 157.55 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)acetamide
PubChem CID115349396
Molecular FormulaC4H6ClF2NO
Molecular Weight157.55 g/mol
Exact Mass157.01
IUPAC Name2-chloro-N-(2,2-difluoroethyl)acetamide
SMILESO=C(CCl)NCC(F)F
InChIInChI=1S/C4H6ClF2NO/c5-1-4(9)8-2-3(6)7/h3H,1-2H2,(H,8,9)
InChIKeyDABSPSSDKVBEMP-UHFFFAOYSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.55
LogP ≤ 50.61
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-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103881683
2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65034129
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
2-chloro-N-(iodomethyl)acetamide
CID 89347854
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
N-(2-bromoethyl)-2-chloroacetamide
CID 71407386
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564
2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide
CID 57036315
4-(2,2-difluoroethylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 115405506
tert-butyl 4-(2,2-difluoroethylamino)-4-oxobutanoate
CID 106707626

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)acetamide (CID 115349396) is 2-chloro-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)acetamide is O=C(CCl)NCC(F)F.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)acetamide?
The InChIKey is DABSPSSDKVBEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF2NO/c5-1-4(9)8-2-3(6)7/h3H,1-2H2,(H,8,9).
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)acetamide?
2-chloro-N-(2,2-difluoroethyl)acetamide has a molecular weight of 157.55 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 115349396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).