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

C17H22F11NO — CID 5092805

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide
SMILESCCCCCN(CCCCC)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C17H22F11NO/c1-3-5-7-9-29(10-8-6-4-2)11(30)12(18)13(19,20)15(23,24)17(27,28)16(25,26)14(12,21)22/h3-10H2,1-2H3
InChIKeyYHIIPBYNGYHGFA-UHFFFAOYSA-N
MW465.35 g/mol
LogP6.09
Rot. Bonds9

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

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide (PubChem CID 5092805) has the molecular formula C17H22F11NO and a molecular weight of 465.35 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide
PubChem CID5092805
Molecular FormulaC17H22F11NO
Molecular Weight465.35 g/mol
Exact Mass465.15
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide
SMILESCCCCCN(CCCCC)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C17H22F11NO/c1-3-5-7-9-29(10-8-6-4-2)11(30)12(18)13(19,20)15(23,24)17(27,28)16(25,26)14(12,21)22/h3-10H2,1-2H3
InChIKeyYHIIPBYNGYHGFA-UHFFFAOYSA-N
XLogP6.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.35
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
N,N-Diethylcyclohexanepropanamide
CID 95064
Cyclohexanecarboxamide, N,N-dibutyl-
CID 533209
N,N-Diethylcyclohexaneacetamide
CID 125722
(4,4-Difluorocyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 67953860
Heptafluorobutanamide, N,N-bis(2-ethylhexyl)-
CID 532978
Pentafluoropropanamide, N,N-bis(2-ethylhexyl)-
CID 533202
N,N-bis(2-methylpropyl)cyclohexanecarboxamide
CID 896672
Cyclohexanecarboxamide, N,N-bis(2-ethylhexyl)-
CID 533213
Cyclohexanecarboxamide, N,N-didecyl-
CID 533218
N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide
CID 44550873

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide (CID 5092805) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide is CCCCCN(CCCCC)C(=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,N-dipentylcyclohexane-1-carboxamide?
The InChIKey is YHIIPBYNGYHGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F11NO/c1-3-5-7-9-29(10-8-6-4-2)11(30)12(18)13(19,20)15(23,24)17(27,28)16(25,26)14(12,21)22/h3-10H2,1-2H3.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide has a molecular weight of 465.35 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 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,N-dipentylcyclohexane-1-carboxamide is sourced from PubChem (CID 5092805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).