1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene

C10H4F16 — CID 58915577

IUPAC1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
SMILESFC(F)=CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F16/c11-4(12)1-3(6(14,9(21,22)23)10(24,25)26)2-5(13,7(15,16)17)8(18,19)20/h1,3H,2H2
InChIKeyYPNJMNXJECSCIQ-UHFFFAOYSA-N
MW428.11 g/mol
LogP6.44
Rot. Bonds4

About 1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene

1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene (PubChem CID 58915577) has the molecular formula C10H4F16 and a molecular weight of 428.11 g/mol. Its IUPAC name is 1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
PubChem CID58915577
Molecular FormulaC10H4F16
Molecular Weight428.11 g/mol
Exact Mass428.01
IUPAC Name1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
SMILESFC(F)=CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F16/c11-4(12)1-3(6(14,9(21,22)23)10(24,25)26)2-5(13,7(15,16)17)8(18,19)20/h1,3H,2H2
InChIKeyYPNJMNXJECSCIQ-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.11
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene?
The IUPAC name of 1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene (CID 58915577) is 1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene is FC(F)=CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene?
The InChIKey is YPNJMNXJECSCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F16/c11-4(12)1-3(6(14,9(21,22)23)10(24,25)26)2-5(13,7(15,16)17)8(18,19)20/h1,3H,2H2.
What are the key properties of 1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene?
1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene has a molecular weight of 428.11 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,6,6,6-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 58915577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).