3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide

C11H19F3N2O2 — CID 75387634

IUPAC3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide
SMILESCC1COCCN1C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-9-8-18-7-6-16(9)10(17)15-5-3-2-4-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyATDYJDMJTVMIDO-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.15
Rot. Bonds4

About 3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide

3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide (PubChem CID 75387634) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide
PubChem CID75387634
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide
SMILESCC1COCCN1C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-9-8-18-7-6-16(9)10(17)15-5-3-2-4-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyATDYJDMJTVMIDO-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide?
The IUPAC name of 3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide (CID 75387634) is 3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide?
The canonical SMILES for 3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide is CC1COCCN1C(=O)NCCCCC(F)(F)F.
What is the InChIKey of 3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide?
The InChIKey is ATDYJDMJTVMIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-9-8-18-7-6-16(9)10(17)15-5-3-2-4-11(12,13)14/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of 3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide?
3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide is sourced from PubChem (CID 75387634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).