7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol

C15H9F8NO — CID 162383357

IUPAC7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol
SMILESOC1c2c(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)n2CCC1(F)F
InChIInChI=1S/C15H9F8NO/c16-8-3-6(4-9(17)11(8)18)10-5-7(15(21,22)23)12-13(25)14(19,20)1-2-24(10)12/h3-5,13,25H,1-2H2
InChIKeyWZWRKIBADCJSDG-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.66
Rot. Bonds1

About 7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol

7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol (PubChem CID 162383357) has the molecular formula C15H9F8NO and a molecular weight of 371.23 g/mol. Its IUPAC name is 7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol.

Molecular Properties

Compound Name7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol
PubChem CID162383357
Molecular FormulaC15H9F8NO
Molecular Weight371.23 g/mol
Exact Mass371.06
IUPAC Name7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol
SMILESOC1c2c(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)n2CCC1(F)F
InChIInChI=1S/C15H9F8NO/c16-8-3-6(4-9(17)11(8)18)10-5-7(15(21,22)23)12-13(25)14(19,20)1-2-24(10)12/h3-5,13,25H,1-2H2
InChIKeyWZWRKIBADCJSDG-UHFFFAOYSA-N
XLogP4.66
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 11231451
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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
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1-(1-Ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethan-1-ol
CID 3127242
2-[3-Methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol
CID 90669385
2-(Dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol
CID 90669698
(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-pyridin-2-ylmethanol
CID 134941450
(1-methyl-1H-indol-2-yl)methanol
CID 295652
US20250042853, Example 72
CID 168252524
(R)-(2-fluorophenyl)-pyridin-2-ylmethanol
CID 101558393
(7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 134966349

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol?
The IUPAC name of 7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol (CID 162383357) is 7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol.
What is the SMILES notation for 7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol?
The canonical SMILES for 7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol is OC1c2c(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)n2CCC1(F)F.
What is the InChIKey of 7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol?
The InChIKey is WZWRKIBADCJSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F8NO/c16-8-3-6(4-9(17)11(8)18)10-5-7(15(21,22)23)12-13(25)14(19,20)1-2-24(10)12/h3-5,13,25H,1-2H2.
What are the key properties of 7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol?
7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol has a molecular weight of 371.23 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol is sourced from PubChem (CID 162383357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).