4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide

C14H23F3N2O2 — CID 71867009

IUPAC4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)NC2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O2/c1-2-19-7-8-21-12(9-19)13(20)18-11-6-4-3-5-10(11)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)
InChIKeyNFDSSYCSPGOUPI-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.94
Rot. Bonds3

About 4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide

4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide (PubChem CID 71867009) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide
PubChem CID71867009
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)NC2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O2/c1-2-19-7-8-21-12(9-19)13(20)18-11-6-4-3-5-10(11)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)
InChIKeyNFDSSYCSPGOUPI-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide (CID 71867009) is 4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide is CCN1CCOC(C(=O)NC2CCCCC2C(F)(F)F)C1.
What is the InChIKey of 4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide?
The InChIKey is NFDSSYCSPGOUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-2-19-7-8-21-12(9-19)13(20)18-11-6-4-3-5-10(11)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20).
What are the key properties of 4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide?
4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(trifluoromethyl)cyclohexyl]morpholine-2-carboxamide is sourced from PubChem (CID 71867009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).