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

C10H5F15 — CID 88590970

IUPAC1,1,5,6,6,6-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
SMILESFC(F)=CC(CC(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F15/c11-4(12)1-3(5(7(14,15)16)8(17,18)19)2-6(13,9(20,21)22)10(23,24)25/h1,3,5H,2H2
InChIKeyNPAHKCFENSNZEP-UHFFFAOYSA-N
MW410.12 g/mol
LogP6.35
Rot. Bonds4

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

1,1,5,6,6,6-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene (PubChem CID 88590970) has the molecular formula C10H5F15 and a molecular weight of 410.12 g/mol. Its IUPAC name is 1,1,5,6,6,6-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name1,1,5,6,6,6-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
PubChem CID88590970
Molecular FormulaC10H5F15
Molecular Weight410.12 g/mol
Exact Mass410.02
IUPAC Name1,1,5,6,6,6-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
SMILESFC(F)=CC(CC(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F15/c11-4(12)1-3(5(7(14,15)16)8(17,18)19)2-6(13,9(20,21)22)10(23,24)25/h1,3,5H,2H2
InChIKeyNPAHKCFENSNZEP-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.12
LogP ≤ 56.35
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-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene?
The IUPAC name of 1,1,5,6,6,6-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene (CID 88590970) is 1,1,5,6,6,6-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 1,1,5,6,6,6-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 1,1,5,6,6,6-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene is FC(F)=CC(CC(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,5,6,6,6-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene?
The InChIKey is NPAHKCFENSNZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F15/c11-4(12)1-3(5(7(14,15)16)8(17,18)19)2-6(13,9(20,21)22)10(23,24)25/h1,3,5H,2H2.
What are the key properties of 1,1,5,6,6,6-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene?
1,1,5,6,6,6-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene has a molecular weight of 410.12 g/mol, XLogP of 6.35, 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-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 88590970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).