4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine

C20H18F3NO — CID 134955186

IUPAC4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine
SMILESFC(F)(F)c1ccc(C(C#Cc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C20H18F3NO/c21-20(22,23)18-9-7-17(8-10-18)19(24-12-14-25-15-13-24)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,12-15H2
InChIKeyWFUFFGDEASYVKZ-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.13
Rot. Bonds2

About 4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine

4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine (PubChem CID 134955186) has the molecular formula C20H18F3NO and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine
PubChem CID134955186
Molecular FormulaC20H18F3NO
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine
SMILESFC(F)(F)c1ccc(C(C#Cc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C20H18F3NO/c21-20(22,23)18-9-7-17(8-10-18)19(24-12-14-25-15-13-24)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,12-15H2
InChIKeyWFUFFGDEASYVKZ-UHFFFAOYSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine?
The IUPAC name of 4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine (CID 134955186) is 4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine.
What is the SMILES notation for 4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine?
The canonical SMILES for 4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine is FC(F)(F)c1ccc(C(C#Cc2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of 4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine?
The InChIKey is WFUFFGDEASYVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO/c21-20(22,23)18-9-7-17(8-10-18)19(24-12-14-25-15-13-24)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,12-15H2.
What are the key properties of 4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine?
4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine has a molecular weight of 345.36 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine is sourced from PubChem (CID 134955186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).