N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide

C17H28F3NO — CID 143001956

IUPACN-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(NC(=O)C2C(F)C(C)C(C)C(F)C2F)C1C
InChIInChI=1S/C17H28F3NO/c1-8-6-5-7-12(9(8)2)21-17(22)13-14(18)10(3)11(4)15(19)16(13)20/h8-16H,5-7H2,1-4H3,(H,21,22)
InChIKeyXGWYXAZILTYAIM-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.84
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide

N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide (PubChem CID 143001956) has the molecular formula C17H28F3NO and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide
PubChem CID143001956
Molecular FormulaC17H28F3NO
Molecular Weight319.41 g/mol
Exact Mass319.21
IUPAC NameN-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(NC(=O)C2C(F)C(C)C(C)C(F)C2F)C1C
InChIInChI=1S/C17H28F3NO/c1-8-6-5-7-12(9(8)2)21-17(22)13-14(18)10(3)11(4)15(19)16(13)20/h8-16H,5-7H2,1-4H3,(H,21,22)
InChIKeyXGWYXAZILTYAIM-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide (CID 143001956) is N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide is CC1CCCC(NC(=O)C2C(F)C(C)C(C)C(F)C2F)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide?
The InChIKey is XGWYXAZILTYAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3NO/c1-8-6-5-7-12(9(8)2)21-17(22)13-14(18)10(3)11(4)15(19)16(13)20/h8-16H,5-7H2,1-4H3,(H,21,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide?
N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 143001956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).