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

C10H14ClF2NO2 — CID 103516236

IUPACN-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide
SMILESO=C(NC1(C(=O)CCl)CCCCC1)C(F)F
InChIInChI=1S/C10H14ClF2NO2/c11-6-7(15)10(4-2-1-3-5-10)14-9(16)8(12)13/h8H,1-6H2,(H,14,16)
InChIKeyNKIKQBNHEIJBAA-UHFFFAOYSA-N
MW253.68 g/mol
LogP1.88
Rot. Bonds4

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

N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide (PubChem CID 103516236) has the molecular formula C10H14ClF2NO2 and a molecular weight of 253.68 g/mol. Its IUPAC name is N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide
PubChem CID103516236
Molecular FormulaC10H14ClF2NO2
Molecular Weight253.68 g/mol
Exact Mass253.07
IUPAC NameN-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide
SMILESO=C(NC1(C(=O)CCl)CCCCC1)C(F)F
InChIInChI=1S/C10H14ClF2NO2/c11-6-7(15)10(4-2-1-3-5-10)14-9(16)8(12)13/h8H,1-6H2,(H,14,16)
InChIKeyNKIKQBNHEIJBAA-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 51.88
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)cyclopropyl]-2,2-difluoroacetamide
CID 103516289
N-[1-(2-chloroacetyl)cyclopentyl]acetamide
CID 104701020
N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide
CID 104701012
N-[1-(2-chloroacetyl)cyclobutyl]acetamide
CID 104701673
N-(1-cyanocycloheptyl)-2,2-difluoroacetamide
CID 103513731
2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid
CID 103513328
1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide
CID 130608806
N-[1-(2-chloroacetyl)-4-methylcyclohexyl]-2,2,2-trifluoroacetamide
CID 104701059
N-[(1-aminocyclopentyl)methyl]-2,2-difluoroacetamide
CID 164661336
2,2-difluoro-N-[(1-methylcyclopentyl)methyl]acetamide
CID 103515473
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
CID 115282657

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide?
The IUPAC name of N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide (CID 103516236) is N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide is O=C(NC1(C(=O)CCl)CCCCC1)C(F)F.
What is the InChIKey of N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide?
The InChIKey is NKIKQBNHEIJBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2NO2/c11-6-7(15)10(4-2-1-3-5-10)14-9(16)8(12)13/h8H,1-6H2,(H,14,16).
What are the key properties of N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide?
N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide has a molecular weight of 253.68 g/mol, XLogP of 1.88, 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)cyclohexyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103516236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).