N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H24F3NO3 — CID 104622193

IUPACN-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCOC(CNC(=O)C1CCCCC1C(F)(F)F)OCC
InChIInChI=1S/C14H24F3NO3/c1-3-20-12(21-4-2)9-18-13(19)10-7-5-6-8-11(10)14(15,16)17/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyGAEUDBANFGUWOK-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.87
Rot. Bonds7

About N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622193) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622193
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC NameN-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCOC(CNC(=O)C1CCCCC1C(F)(F)F)OCC
InChIInChI=1S/C14H24F3NO3/c1-3-20-12(21-4-2)9-18-13(19)10-7-5-6-8-11(10)14(15,16)17/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyGAEUDBANFGUWOK-UHFFFAOYSA-N
XLogP2.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622193) is N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is CCOC(CNC(=O)C1CCCCC1C(F)(F)F)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is GAEUDBANFGUWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-3-20-12(21-4-2)9-18-13(19)10-7-5-6-8-11(10)14(15,16)17/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).