N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

C15H18F11NO — CID 5163590

IUPACN-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SMILESCCCCC(CC)CNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H18F11NO/c1-3-5-6-8(4-2)7-27-9(28)10(16)11(17,18)13(21,22)15(25,26)14(23,24)12(10,19)20/h8H,3-7H2,1-2H3,(H,27,28)
InChIKeyWVDVJJRPPWUTHA-UHFFFAOYSA-N
MW437.29 g/mol
LogP5.22
Rot. Bonds7

About N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide (PubChem CID 5163590) has the molecular formula C15H18F11NO and a molecular weight of 437.29 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
PubChem CID5163590
Molecular FormulaC15H18F11NO
Molecular Weight437.29 g/mol
Exact Mass437.12
IUPAC NameN-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SMILESCCCCC(CC)CNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H18F11NO/c1-3-5-6-8(4-2)7-27-9(28)10(16)11(17,18)13(21,22)15(25,26)14(23,24)12(10,19)20/h8H,3-7H2,1-2H3,(H,27,28)
InChIKeyWVDVJJRPPWUTHA-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.29
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide (CID 5163590) is N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide is CCCCC(CC)CNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The InChIKey is WVDVJJRPPWUTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F11NO/c1-3-5-6-8(4-2)7-27-9(28)10(16)11(17,18)13(21,22)15(25,26)14(23,24)12(10,19)20/h8H,3-7H2,1-2H3,(H,27,28).
What are the key properties of N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
N-(2-ethylhexyl)-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 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide is sourced from PubChem (CID 5163590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).