N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide

C11H15F4NO — CID 103732113

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCCC1=CCCCC1)C(F)(F)C(F)F
InChIInChI=1S/C11H15F4NO/c12-9(13)11(14,15)10(17)16-7-6-8-4-2-1-3-5-8/h4,9H,1-3,5-7H2,(H,16,17)
InChIKeyDZHWSPSDJYJHMA-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide

N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732113) has the molecular formula C11H15F4NO and a molecular weight of 253.24 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103732113
Molecular FormulaC11H15F4NO
Molecular Weight253.24 g/mol
Exact Mass253.11
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCCC1=CCCCC1)C(F)(F)C(F)F
InChIInChI=1S/C11H15F4NO/c12-9(13)11(14,15)10(17)16-7-6-8-4-2-1-3-5-8/h4,9H,1-3,5-7H2,(H,16,17)
InChIKeyDZHWSPSDJYJHMA-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
N,N'-bis[2-(cyclohex-1-en-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide
CID 3545057
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
(Z)-2-ethyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorodecyl)but-2-enamide
CID 60016051
4-(5,5-difluoropentyl)-2,3-dihydro-1H-pyridin-6-one
CID 68344485
2-ethyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorodecyl)but-2-enamide
CID 72623032
N-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorooctyl)-2-ethylbut-2-enamide
CID 91595109
N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 3323061

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide (CID 103732113) is N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide is O=C(NCCC1=CCCCC1)C(F)(F)C(F)F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is DZHWSPSDJYJHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4NO/c12-9(13)11(14,15)10(17)16-7-6-8-4-2-1-3-5-8/h4,9H,1-3,5-7H2,(H,16,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 253.24 g/mol, XLogP of 2.89, 5 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]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103732113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).