1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite

C13H17F10NO2 — CID 176661157

IUPAC1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite
SMILESFOCC12CCCCN1CCC2.OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H16FNO.C4HF9O/c10-12-8-9-4-1-2-6-11(9)7-3-5-9;5-2(6,7)1(14,3(8,9)10)4(11,12)13/h1-8H2;14H
InChIKeySBLOCSVFVWHMJO-UHFFFAOYSA-N
MW409.26 g/mol
LogP4.31
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite (PubChem CID 176661157) has the molecular formula C13H17F10NO2 and a molecular weight of 409.26 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite
PubChem CID176661157
Molecular FormulaC13H17F10NO2
Molecular Weight409.26 g/mol
Exact Mass409.11
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite
SMILESFOCC12CCCCN1CCC2.OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H16FNO.C4HF9O/c10-12-8-9-4-1-2-6-11(9)7-3-5-9;5-2(6,7)1(14,3(8,9)10)4(11,12)13/h1-8H2;14H
InChIKeySBLOCSVFVWHMJO-UHFFFAOYSA-N
XLogP4.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite with MolForge

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Related Compounds

((2R,8AS)-2-fluorohexahydroindolizin-8a(1H)-yl)methanol
CID 163323427
[(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 170376409
2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 171454002
(8aS)-7,7-difluoro-8a-(propan-2-yloxymethyl)-1,2,3,5,6,8-hexahydroindolizine
CID 171769711
[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 175977713
(2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 176610739
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethanol
CID 176943499
2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite
CID 176661158

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite (CID 176661157) is 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite is FOCC12CCCCN1CCC2.OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite?
The InChIKey is SBLOCSVFVWHMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO.C4HF9O/c10-12-8-9-4-1-2-6-11(9)7-3-5-9;5-2(6,7)1(14,3(8,9)10)4(11,12)13/h1-8H2;14H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite?
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite has a molecular weight of 409.26 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethyl hypofluorite is sourced from PubChem (CID 176661157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).