N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide

C10H15F2NO — CID 103602571

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide
SMILESO=C(NCCC1=CCCCC1)C(F)F
InChIInChI=1S/C10H15F2NO/c11-9(12)10(14)13-7-6-8-4-2-1-3-5-8/h4,9H,1-3,5-7H2,(H,13,14)
InChIKeyXEWSTJRPUUJPJK-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.26
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide (PubChem CID 103602571) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide
PubChem CID103602571
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide
SMILESO=C(NCCC1=CCCCC1)C(F)F
InChIInChI=1S/C10H15F2NO/c11-9(12)10(14)13-7-6-8-4-2-1-3-5-8/h4,9H,1-3,5-7H2,(H,13,14)
InChIKeyXEWSTJRPUUJPJK-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(Cyclohex-3-en-1-yl)-2,2,2-trifluoroacetamide
CID 11084723
Acetamide, N-9-decenyl-2,2,2-trifluoro-
CID 11402486
N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide
CID 138976346
N-[(4Z)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide
CID 162404939
N-[(4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide
CID 162413325
N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 5226821
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45584886
N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
CID 11095798
N-(3,7-dimethyloct-6-enyl)-2,2,2-trifluoroacetamide
CID 12523880
N-[3-(4,7-dihydro-1-indanyl)propyl]-2,2,2-trifluoroacetamide
CID 22758132
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
4-(5,5-difluoropentyl)-2,3-dihydro-1H-pyridin-6-one
CID 68344485

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide (CID 103602571) is N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide is O=C(NCCC1=CCCCC1)C(F)F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide?
The InChIKey is XEWSTJRPUUJPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c11-9(12)10(14)13-7-6-8-4-2-1-3-5-8/h4,9H,1-3,5-7H2,(H,13,14).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide has a molecular weight of 203.23 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103602571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).