1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide

C8H4F11NO — CID 17386519

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H4F11NO/c1-20-2(21)3(9)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h1H3,(H,20,21)
InChIKeyBBGKKHQZJFMAPX-UHFFFAOYSA-N
MW339.10 g/mol
LogP2.63
Rot. Bonds1

About 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide (PubChem CID 17386519) has the molecular formula C8H4F11NO and a molecular weight of 339.10 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide
PubChem CID17386519
Molecular FormulaC8H4F11NO
Molecular Weight339.10 g/mol
Exact Mass339.01
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H4F11NO/c1-20-2(21)3(9)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h1H3,(H,20,21)
InChIKeyBBGKKHQZJFMAPX-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Methylperfluoroheptanamide
CID 3089658
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N-methylnonanamide
CID 3946398
N-Methylpentadecafluorooctanamide
CID 12138989
4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 70231221
N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932535
2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide
CID 88657249
3-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide
CID 88657253
N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583696
2-(4,4-difluorocyclohexyl)-N-methylacetamide
CID 131702534
2-fluoro-N-methylcyclohexane-1-carboxamide
CID 140426168
N-(difluoromethyl)cyclohexanecarboxamide
CID 140663407
2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane
CID 145422308

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide (CID 17386519) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide is CNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide?
The InChIKey is BBGKKHQZJFMAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F11NO/c1-20-2(21)3(9)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h1H3,(H,20,21).
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide has a molecular weight of 339.10 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 17386519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).