2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine

C14H18F3NO — CID 114497559

IUPAC2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine
SMILESCC(C)C1(C)CNCC(c2cc(F)c(F)c(F)c2)O1
InChIInChI=1S/C14H18F3NO/c1-8(2)14(3)7-18-6-12(19-14)9-4-10(15)13(17)11(16)5-9/h4-5,8,12,18H,6-7H2,1-3H3
InChIKeyLJKOOEILWYGKEP-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.18
Rot. Bonds2

About 2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine

2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine (PubChem CID 114497559) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine
PubChem CID114497559
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine
SMILESCC(C)C1(C)CNCC(c2cc(F)c(F)c(F)c2)O1
InChIInChI=1S/C14H18F3NO/c1-8(2)14(3)7-18-6-12(19-14)9-4-10(15)13(17)11(16)5-9/h4-5,8,12,18H,6-7H2,1-3H3
InChIKeyLJKOOEILWYGKEP-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine?
The IUPAC name of 2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine (CID 114497559) is 2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine.
What is the SMILES notation for 2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine?
The canonical SMILES for 2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine is CC(C)C1(C)CNCC(c2cc(F)c(F)c(F)c2)O1.
What is the InChIKey of 2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine?
The InChIKey is LJKOOEILWYGKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-8(2)14(3)7-18-6-12(19-14)9-4-10(15)13(17)11(16)5-9/h4-5,8,12,18H,6-7H2,1-3H3.
What are the key properties of 2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine?
2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine has a molecular weight of 273.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine is sourced from PubChem (CID 114497559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).