1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C9H12F3NO — CID 121456280

IUPAC1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CC(C(F)(F)F)C2CCCCN12
InChIInChI=1S/C9H12F3NO/c10-9(11,12)6-5-8(14)13-4-2-1-3-7(6)13/h6-7H,1-5H2
InChIKeySHPQAEIWMSBKRM-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.95
Rot. Bonds

About 1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 121456280) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID121456280
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CC(C(F)(F)F)C2CCCCN12
InChIInChI=1S/C9H12F3NO/c10-9(11,12)6-5-8(14)13-4-2-1-3-7(6)13/h6-7H,1-5H2
InChIKeySHPQAEIWMSBKRM-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 121456280) is 1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is O=C1CC(C(F)(F)F)C2CCCCN12.
What is the InChIKey of 1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is SHPQAEIWMSBKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c10-9(11,12)6-5-8(14)13-4-2-1-3-7(6)13/h6-7H,1-5H2.
What are the key properties of 1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 207.19 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 121456280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).