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

C18H16F5NO — CID 162383358

IUPAC7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol
SMILESOC1c2c(C(F)(F)F)cc(C3(c4ccccc4)CC3)n2CCC1(F)F
InChIInChI=1S/C18H16F5NO/c19-17(20)8-9-24-13(10-12(18(21,22)23)14(24)15(17)25)16(6-7-16)11-4-2-1-3-5-11/h1-5,10,15,25H,6-9H2
InChIKeyMNORQEVGVPVMBN-UHFFFAOYSA-N
MW357.32 g/mol
LogP4.66
Rot. Bonds2

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

7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol (PubChem CID 162383358) has the molecular formula C18H16F5NO and a molecular weight of 357.32 g/mol. Its IUPAC name is 7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol.

Molecular Properties

Compound Name7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol
PubChem CID162383358
Molecular FormulaC18H16F5NO
Molecular Weight357.32 g/mol
Exact Mass357.12
IUPAC Name7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol
SMILESOC1c2c(C(F)(F)F)cc(C3(c4ccccc4)CC3)n2CCC1(F)F
InChIInChI=1S/C18H16F5NO/c19-17(20)8-9-24-13(10-12(18(21,22)23)14(24)15(17)25)16(6-7-16)11-4-2-1-3-5-11/h1-5,10,15,25H,6-9H2
InChIKeyMNORQEVGVPVMBN-UHFFFAOYSA-N
XLogP4.66
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 71554708
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 71555594
2-(Dibutylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol
CID 90669382
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
US20250042853, Example 72
CID 168252524
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
13-Hydroxy-11-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-2-thione
CID 393310
[6-(Difluoromethyl)-4-phenyl-5-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 9886462
2-[1-Benzyl-2-(1-hydroxypropyl)indol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11546488
2-(1-benzyl-2-hydroxymethyl-1H-indol-5-yl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 11560454

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol?
The IUPAC name of 7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol (CID 162383358) is 7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol.
What is the SMILES notation for 7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol?
The canonical SMILES for 7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol is OC1c2c(C(F)(F)F)cc(C3(c4ccccc4)CC3)n2CCC1(F)F.
What is the InChIKey of 7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol?
The InChIKey is MNORQEVGVPVMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5NO/c19-17(20)8-9-24-13(10-12(18(21,22)23)14(24)15(17)25)16(6-7-16)11-4-2-1-3-5-11/h1-5,10,15,25H,6-9H2.
What are the key properties of 7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol?
7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol has a molecular weight of 357.32 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol is sourced from PubChem (CID 162383358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).