N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide

C7H8ClF2NO2 — CID 103516289

IUPACN-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide
SMILESO=C(NC1(C(=O)CCl)CC1)C(F)F
InChIInChI=1S/C7H8ClF2NO2/c8-3-4(12)7(1-2-7)11-6(13)5(9)10/h5H,1-3H2,(H,11,13)
InChIKeyUIYIYTSHWWLENP-UHFFFAOYSA-N
MW211.59 g/mol
LogP0.71
Rot. Bonds4

About N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide

N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide (PubChem CID 103516289) has the molecular formula C7H8ClF2NO2 and a molecular weight of 211.59 g/mol. Its IUPAC name is N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide
PubChem CID103516289
Molecular FormulaC7H8ClF2NO2
Molecular Weight211.59 g/mol
Exact Mass211.02
IUPAC NameN-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide
SMILESO=C(NC1(C(=O)CCl)CC1)C(F)F
InChIInChI=1S/C7H8ClF2NO2/c8-3-4(12)7(1-2-7)11-6(13)5(9)10/h5H,1-3H2,(H,11,13)
InChIKeyUIYIYTSHWWLENP-UHFFFAOYSA-N
XLogP0.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.59
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide
CID 103516236
N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide
CID 104701012
N-[1-(2-chloroacetyl)cyclobutyl]acetamide
CID 104701673
N-[1-(2-chloroacetyl)cyclopentyl]acetamide
CID 104701020
N-[1-(2-chloroacetyl)-4-methylcyclohexyl]-2,2,2-trifluoroacetamide
CID 104701059
2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid
CID 103513328
N-(1-cyanocycloheptyl)-2,2-difluoroacetamide
CID 103513731
propyl N-[1-(2-chloroacetyl)-4-methylcyclohexyl]carbamate
CID 112738913
2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide
CID 130666100
2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 103513976
N-[(1-aminocyclopentyl)methyl]-2,2-difluoroacetamide
CID 164661336
2,2-difluoro-N-[(1-methylcyclopentyl)methyl]acetamide
CID 103515473

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide?
The IUPAC name of N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide (CID 103516289) is N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide is O=C(NC1(C(=O)CCl)CC1)C(F)F.
What is the InChIKey of N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide?
The InChIKey is UIYIYTSHWWLENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2NO2/c8-3-4(12)7(1-2-7)11-6(13)5(9)10/h5H,1-3H2,(H,11,13).
What are the key properties of N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide?
N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide has a molecular weight of 211.59 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103516289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).