N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

C15H18F11NO — CID 5082888

IUPACN,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SMILESCCCCN(CCCC)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H18F11NO/c1-3-5-7-27(8-6-4-2)9(28)10(16)11(17,18)13(21,22)15(25,26)14(23,24)12(10,19)20/h3-8H2,1-2H3
InChIKeyXTVUIZONQTXZLH-UHFFFAOYSA-N
MW437.29 g/mol
LogP5.31
Rot. Bonds7

About N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide (PubChem CID 5082888) has the molecular formula C15H18F11NO and a molecular weight of 437.29 g/mol. Its IUPAC name is N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
PubChem CID5082888
Molecular FormulaC15H18F11NO
Molecular Weight437.29 g/mol
Exact Mass437.12
IUPAC NameN,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SMILESCCCCN(CCCC)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H18F11NO/c1-3-5-7-27(8-6-4-2)9(28)10(16)11(17,18)13(21,22)15(25,26)14(23,24)12(10,19)20/h3-8H2,1-2H3
InChIKeyXTVUIZONQTXZLH-UHFFFAOYSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.29
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide with MolForge

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Related Compounds

Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
N,N-Diethylcyclohexanepropanamide
CID 95064
Heptanamide, N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-
CID 4379511
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
N,N-bis(2-methylpropyl)cyclohexanecarboxamide
CID 896672
Cyclohexanecarboxamide, N,N-bis(2-ethylhexyl)-
CID 533213
N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide
CID 44550873
N-cyclohexyl-N-(trifluoromethyl)octanamide
CID 44550874

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The IUPAC name of N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide (CID 5082888) is N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide.
What is the SMILES notation for N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The canonical SMILES for N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide is CCCCN(CCCC)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The InChIKey is XTVUIZONQTXZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F11NO/c1-3-5-7-27(8-6-4-2)9(28)10(16)11(17,18)13(21,22)15(25,26)14(23,24)12(10,19)20/h3-8H2,1-2H3.
What are the key properties of N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide has a molecular weight of 437.29 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide is sourced from PubChem (CID 5082888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).