N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide

C12H18ClF2NO2 — CID 103516232

IUPACN-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide
SMILESCCC1CCC(NC(=O)C(F)F)(C(=O)CCl)CC1
InChIInChI=1S/C12H18ClF2NO2/c1-2-8-3-5-12(6-4-8,9(17)7-13)16-11(18)10(14)15/h8,10H,2-7H2,1H3,(H,16,18)
InChIKeyLXXLLRVYCRCFOA-UHFFFAOYSA-N
MW281.73 g/mol
LogP2.51
Rot. Bonds5

About N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide

N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide (PubChem CID 103516232) has the molecular formula C12H18ClF2NO2 and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide
PubChem CID103516232
Molecular FormulaC12H18ClF2NO2
Molecular Weight281.73 g/mol
Exact Mass281.10
IUPAC NameN-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide
SMILESCCC1CCC(NC(=O)C(F)F)(C(=O)CCl)CC1
InChIInChI=1S/C12H18ClF2NO2/c1-2-8-3-5-12(6-4-8,9(17)7-13)16-11(18)10(14)15/h8,10H,2-7H2,1H3,(H,16,18)
InChIKeyLXXLLRVYCRCFOA-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide?
The IUPAC name of N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide (CID 103516232) is N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide is CCC1CCC(NC(=O)C(F)F)(C(=O)CCl)CC1.
What is the InChIKey of N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide?
The InChIKey is LXXLLRVYCRCFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClF2NO2/c1-2-8-3-5-12(6-4-8,9(17)7-13)16-11(18)10(14)15/h8,10H,2-7H2,1H3,(H,16,18).
What are the key properties of N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide?
N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide has a molecular weight of 281.73 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroacetyl)-4-ethylcyclohexyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103516232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).