2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine

C17H24F3NO — CID 50948572

IUPAC2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine
SMILESFC(F)(F)CCCN1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C17H24F3NO/c18-17(19,20)10-5-11-21-12-13-22-16(14-21)9-4-8-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
InChIKeyKABJRJLBWTZLFC-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.05
Rot. Bonds7

About 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine

2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine (PubChem CID 50948572) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine.

Molecular Properties

Compound Name2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine
PubChem CID50948572
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine
SMILESFC(F)(F)CCCN1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C17H24F3NO/c18-17(19,20)10-5-11-21-12-13-22-16(14-21)9-4-8-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
InChIKeyKABJRJLBWTZLFC-UHFFFAOYSA-N
XLogP4.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)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-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine?
The IUPAC name of 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine (CID 50948572) is 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine.
What is the SMILES notation for 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine?
The canonical SMILES for 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine is FC(F)(F)CCCN1CCOC(CCCc2ccccc2)C1.
What is the InChIKey of 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine?
The InChIKey is KABJRJLBWTZLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO/c18-17(19,20)10-5-11-21-12-13-22-16(14-21)9-4-8-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2.
What are the key properties of 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine?
2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine has a molecular weight of 315.38 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine is sourced from PubChem (CID 50948572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).