[1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite

C13F22O2 — CID 87306894

IUPAC[1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite
SMILESFOC(F)(C(F)(F)F)C(F)(F)OC1(F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F
InChIInChI=1S/C13F22O2/c14-1-5(18,19)2(15)8(24,25)3(16,6(1,20)21)10(28,4(17,7(1,22)23)9(2,26)27)36-13(33,34)11(29,37-35)12(30,31)32
InChIKeyOJHUARMNXPFUCW-UHFFFAOYSA-N
MW606.10 g/mol
LogP6.44
Rot. Bonds4

About [1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite

[1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite (PubChem CID 87306894) has the molecular formula C13F22O2 and a molecular weight of 606.10 g/mol. Its IUPAC name is [1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite.

Molecular Properties

Compound Name[1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite
PubChem CID87306894
Molecular FormulaC13F22O2
Molecular Weight606.10 g/mol
Exact Mass605.95
IUPAC Name[1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite
SMILESFOC(F)(C(F)(F)F)C(F)(F)OC1(F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F
InChIInChI=1S/C13F22O2/c14-1-5(18,19)2(15)8(24,25)3(16,6(1,20)21)10(28,4(17,7(1,22)23)9(2,26)27)36-13(33,34)11(29,37-35)12(30,31)32
InChIKeyOJHUARMNXPFUCW-UHFFFAOYSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.10
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite with MolForge

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Related Compounds

[1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite
CID 87307349
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride
CID 11038354
[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite
CID 87699187
2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine
CID 87306997
N,N,1,1,2,2-hexafluoro-2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethanamine
CID 87307634
1,1,2,3,3,4,4,4-octafluoro-1-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]butan-2-ol
CID 87306464
1,1,2,3,3,4,4,5,5,5-decafluoro-1-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]pentan-2-ol
CID 87307670
[2-[1,2,2,3,3,4,4,5,5,6-decafluoro-6-(1,1,2,2-tetrafluoro-2-fluorooxyethyl)cyclohexyl]-1,1,2,2-tetrafluoroethyl] hypofluorite
CID 87172990
cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane
CID 97291005
[2-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropyl] hypofluorite
CID 88556084
1,1,1,2,3,3,4,5,5-nonafluoropent-4-en-2-yl hypofluorite
CID 131973025
1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol
CID 87306618

Frequently Asked Questions

What is the IUPAC name of [1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite?
The IUPAC name of [1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite (CID 87306894) is [1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite.
What is the SMILES notation for [1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite?
The canonical SMILES for [1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite is FOC(F)(C(F)(F)F)C(F)(F)OC1(F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F.
What is the InChIKey of [1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite?
The InChIKey is OJHUARMNXPFUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F22O2/c14-1-5(18,19)2(15)8(24,25)3(16,6(1,20)21)10(28,4(17,7(1,22)23)9(2,26)27)36-13(33,34)11(29,37-35)12(30,31)32.
What are the key properties of [1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite?
[1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite has a molecular weight of 606.10 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite is sourced from PubChem (CID 87306894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).