(3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

C13H23F3N2O2 — CID 100754660

IUPAC(3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESCCCCCCNC(=O)[C@H]1COCCN1CC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-2-3-4-5-6-17-12(19)11-9-20-8-7-18(11)10-13(14,15)16/h11H,2-10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyXJOVMRDOCCNUIX-LLVKDONJSA-N
MW296.33 g/mol
LogP1.95
Rot. Bonds7

About (3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

(3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (PubChem CID 100754660) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
PubChem CID100754660
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name(3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESCCCCCCNC(=O)[C@H]1COCCN1CC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-2-3-4-5-6-17-12(19)11-9-20-8-7-18(11)10-13(14,15)16/h11H,2-10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyXJOVMRDOCCNUIX-LLVKDONJSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The IUPAC name of (3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (CID 100754660) is (3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is CCCCCCNC(=O)[C@H]1COCCN1CC(F)(F)F.
What is the InChIKey of (3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The InChIKey is XJOVMRDOCCNUIX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-3-4-5-6-17-12(19)11-9-20-8-7-18(11)10-13(14,15)16/h11H,2-10H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of (3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
(3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is sourced from PubChem (CID 100754660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).