N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide

C11H18F3NO — CID 78858698

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCCC1
InChIInChI=1S/C11H18F3NO/c1-2-15(8-11(12,13)14)10(16)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeySJPSPAXKVCNJNJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.98
Rot. Bonds3

About N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide

N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide (PubChem CID 78858698) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
PubChem CID78858698
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCCC1
InChIInChI=1S/C11H18F3NO/c1-2-15(8-11(12,13)14)10(16)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeySJPSPAXKVCNJNJ-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide (CID 78858698) is N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide is CCN(CC(F)(F)F)C(=O)C1CCCCC1.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The InChIKey is SJPSPAXKVCNJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-2-15(8-11(12,13)14)10(16)9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide has a molecular weight of 237.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide is sourced from PubChem (CID 78858698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).