N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

C15H14F11NO — CID 4066063

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H14F11NO/c16-10(9(28)27-7-6-8-4-2-1-3-5-8)11(17,18)13(21,22)15(25,26)14(23,24)12(10,19)20/h4H,1-3,5-7H2,(H,27,28)
InChIKeyUNFBXIPWCHMQON-UHFFFAOYSA-N
MW433.26 g/mol
LogP4.89
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide (PubChem CID 4066063) has the molecular formula C15H14F11NO and a molecular weight of 433.26 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
PubChem CID4066063
Molecular FormulaC15H14F11NO
Molecular Weight433.26 g/mol
Exact Mass433.09
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H14F11NO/c16-10(9(28)27-7-6-8-4-2-1-3-5-8)11(17,18)13(21,22)15(25,26)14(23,24)12(10,19)20/h4H,1-3,5-7H2,(H,27,28)
InChIKeyUNFBXIPWCHMQON-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 54.89
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide (CID 4066063) is N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide is O=C(NCCC1=CCCCC1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The InChIKey is UNFBXIPWCHMQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F11NO/c16-10(9(28)27-7-6-8-4-2-1-3-5-8)11(17,18)13(21,22)15(25,26)14(23,24)12(10,19)20/h4H,1-3,5-7H2,(H,27,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide has a molecular weight of 433.26 g/mol, XLogP of 4.89, 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]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide is sourced from PubChem (CID 4066063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).