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

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Related Compounds

4-(3-Phenylpropyl)morpholine
CID 782728
1-(3-(3-Phenylpropoxy)propyl)piperidine
CID 9903343
4-Benzyl-2-(2-phenylethyl)morpholine
CID 20354789
4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
2,6-Dimethyl-4-(2-phenylethyl)morpholine
CID 2846152
trans-(1S,2S)-N,N-dimethyl-2-(3-phenylpropoxy)cyclohexan-1-amine
CID 71769137
3-(4-Benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 3811822
4-Morpholineethanol, alpha-(2,2-diphenylethyl)-
CID 120874
Piperidine, 1-(2-(phenethyloxy)phenyl)-
CID 213757
4-[(2,6-Difluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737725
4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine
CID 10066909
Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)-
CID 213808

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).