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

C15H13F4NO — CID 162383473

IUPAC7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol
SMILESOC1c2c(C(F)(F)F)cc(-c3ccccc3)n2CCC1F
InChIInChI=1S/C15H13F4NO/c16-11-6-7-20-12(9-4-2-1-3-5-9)8-10(15(17,18)19)13(20)14(11)21/h1-5,8,11,14,21H,6-7H2
InChIKeyLMIICRDROUXBHN-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.95
Rot. Bonds1

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

7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol (PubChem CID 162383473) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol.

Molecular Properties

Compound Name7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol
PubChem CID162383473
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol
SMILESOC1c2c(C(F)(F)F)cc(-c3ccccc3)n2CCC1F
InChIInChI=1S/C15H13F4NO/c16-11-6-7-20-12(9-4-2-1-3-5-9)8-10(15(17,18)19)13(20)14(11)21/h1-5,8,11,14,21H,6-7H2
InChIKeyLMIICRDROUXBHN-UHFFFAOYSA-N
XLogP3.95
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl(pyridin-2-yl)methanol
CID 315585
[1-(methoxymethyl)-1H-indol-2-yl](phenyl)methanol
CID 11842269
1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1-yl-ethanol
CID 11231451
1-(5-Phenyl-1H-pyrrole-2-yl)-2,2,2-trifluoroethanol
CID 3127243
2-(Dibutylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol
CID 90669382
5,6-Difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 162383497
(3-Fluorophenyl)(pyridin-2-yl)methanol
CID 23467199
WR 148946
CID 155135
1-(1-Ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethan-1-ol
CID 3127242
1-[2,6-Bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(dipentylamino)ethanol
CID 90669314
2-(dibutylamino)-1-[2-[4-(trifluoromethyl)phenyl]-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-4-pyridinyl]ethanol
CID 90669376
2-[3-Methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol
CID 90669385

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol?
The IUPAC name of 7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol (CID 162383473) is 7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol.
What is the SMILES notation for 7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol?
The canonical SMILES for 7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol is OC1c2c(C(F)(F)F)cc(-c3ccccc3)n2CCC1F.
What is the InChIKey of 7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol?
The InChIKey is LMIICRDROUXBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-11-6-7-20-12(9-4-2-1-3-5-9)8-10(15(17,18)19)13(20)14(11)21/h1-5,8,11,14,21H,6-7H2.
What are the key properties of 7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol?
7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol has a molecular weight of 299.27 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol is sourced from PubChem (CID 162383473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).