3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol

C15H11ClF5NO — CID 162383370

IUPAC3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol
SMILESOC1c2c(C(F)(F)F)cc(-c3cc(F)cc(Cl)c3)n2CCC1F
InChIInChI=1S/C15H11ClF5NO/c16-8-3-7(4-9(17)5-8)12-6-10(15(19,20)21)13-14(23)11(18)1-2-22(12)13/h3-6,11,14,23H,1-2H2
InChIKeyNURSXUYEARVURN-UHFFFAOYSA-N
MW351.70 g/mol
LogP4.74
Rot. Bonds1

About 3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol

3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol (PubChem CID 162383370) has the molecular formula C15H11ClF5NO and a molecular weight of 351.70 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol
PubChem CID162383370
Molecular FormulaC15H11ClF5NO
Molecular Weight351.70 g/mol
Exact Mass351.04
IUPAC Name3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol
SMILESOC1c2c(C(F)(F)F)cc(-c3cc(F)cc(Cl)c3)n2CCC1F
InChIInChI=1S/C15H11ClF5NO/c16-8-3-7(4-9(17)5-8)12-6-10(15(19,20)21)13-14(23)11(18)1-2-22(12)13/h3-6,11,14,23H,1-2H2
InChIKeyNURSXUYEARVURN-UHFFFAOYSA-N
XLogP4.74
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.70
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol (CID 162383370) is 3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol.
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol is OC1c2c(C(F)(F)F)cc(-c3cc(F)cc(Cl)c3)n2CCC1F.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol?
The InChIKey is NURSXUYEARVURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF5NO/c16-8-3-7(4-9(17)5-8)12-6-10(15(19,20)21)13-14(23)11(18)1-2-22(12)13/h3-6,11,14,23H,1-2H2.
What are the key properties of 3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol?
3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol has a molecular weight of 351.70 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol is sourced from PubChem (CID 162383370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).