3-phenyl-8a-(trifluoromethyl)indolizin-1-one

C15H10F3NO — CID 162673869

IUPAC3-phenyl-8a-(trifluoromethyl)indolizin-1-one
SMILESO=C1C=C(c2ccccc2)N2C=CC=CC12C(F)(F)F
InChIInChI=1S/C15H10F3NO/c16-15(17,18)14-8-4-5-9-19(14)12(10-13(14)20)11-6-2-1-3-7-11/h1-10H
InChIKeyMEMVUHQTULPULX-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.30
Rot. Bonds1

About 3-phenyl-8a-(trifluoromethyl)indolizin-1-one

3-phenyl-8a-(trifluoromethyl)indolizin-1-one (PubChem CID 162673869) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-phenyl-8a-(trifluoromethyl)indolizin-1-one.

Molecular Properties

Compound Name3-phenyl-8a-(trifluoromethyl)indolizin-1-one
PubChem CID162673869
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name3-phenyl-8a-(trifluoromethyl)indolizin-1-one
SMILESO=C1C=C(c2ccccc2)N2C=CC=CC12C(F)(F)F
InChIInChI=1S/C15H10F3NO/c16-15(17,18)14-8-4-5-9-19(14)12(10-13(14)20)11-6-2-1-3-7-11/h1-10H
InChIKeyMEMVUHQTULPULX-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-8a-(trifluoromethyl)indolizin-1-one?
The IUPAC name of 3-phenyl-8a-(trifluoromethyl)indolizin-1-one (CID 162673869) is 3-phenyl-8a-(trifluoromethyl)indolizin-1-one.
What is the SMILES notation for 3-phenyl-8a-(trifluoromethyl)indolizin-1-one?
The canonical SMILES for 3-phenyl-8a-(trifluoromethyl)indolizin-1-one is O=C1C=C(c2ccccc2)N2C=CC=CC12C(F)(F)F.
What is the InChIKey of 3-phenyl-8a-(trifluoromethyl)indolizin-1-one?
The InChIKey is MEMVUHQTULPULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-15(17,18)14-8-4-5-9-19(14)12(10-13(14)20)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 3-phenyl-8a-(trifluoromethyl)indolizin-1-one?
3-phenyl-8a-(trifluoromethyl)indolizin-1-one has a molecular weight of 277.25 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-8a-(trifluoromethyl)indolizin-1-one is sourced from PubChem (CID 162673869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).