3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol

C17H20F5NO — CID 162383354

IUPAC3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol
SMILESOC1c2c(C(F)(F)F)cc(/C=C/C3CCCCC3)n2CCC1(F)F
InChIInChI=1S/C17H20F5NO/c18-16(19)8-9-23-12(7-6-11-4-2-1-3-5-11)10-13(17(20,21)22)14(23)15(16)24/h6-7,10-11,15,24H,1-5,8-9H2/b7-6+
InChIKeyWQRSJKUPAYTCDD-VOTSOKGWSA-N
MW349.34 g/mol
LogP5.17
Rot. Bonds2

About 3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol

3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol (PubChem CID 162383354) has the molecular formula C17H20F5NO and a molecular weight of 349.34 g/mol. Its IUPAC name is 3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol.

Molecular Properties

Compound Name3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol
PubChem CID162383354
Molecular FormulaC17H20F5NO
Molecular Weight349.34 g/mol
Exact Mass349.15
IUPAC Name3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol
SMILESOC1c2c(C(F)(F)F)cc(/C=C/C3CCCCC3)n2CCC1(F)F
InChIInChI=1S/C17H20F5NO/c18-16(19)8-9-23-12(7-6-11-4-2-1-3-5-11)10-13(17(20,21)22)14(23)15(16)24/h6-7,10-11,15,24H,1-5,8-9H2/b7-6+
InChIKeyWQRSJKUPAYTCDD-VOTSOKGWSA-N
XLogP5.17
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.34
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol with MolForge

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Related Compounds

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CID 11231451
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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
2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol
CID 154722174
2,2,2-Trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol
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CID 135073037
1-(1-Ethylindol-2-yl)-2-methylhex-3-yn-1-ol
CID 135073038
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CID 393310
Ethanol, 1-(4,5,6,7-tetrahydro-4,5,7-trimethyl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoro-
CID 591801
[6-(Difluoromethyl)-4-phenyl-5-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol?
The IUPAC name of 3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol (CID 162383354) is 3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol.
What is the SMILES notation for 3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol?
The canonical SMILES for 3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol is OC1c2c(C(F)(F)F)cc(/C=C/C3CCCCC3)n2CCC1(F)F.
What is the InChIKey of 3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol?
The InChIKey is WQRSJKUPAYTCDD-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H20F5NO/c18-16(19)8-9-23-12(7-6-11-4-2-1-3-5-11)10-13(17(20,21)22)14(23)15(16)24/h6-7,10-11,15,24H,1-5,8-9H2/b7-6+.
What are the key properties of 3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol?
3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol has a molecular weight of 349.34 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol is sourced from PubChem (CID 162383354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).