1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene

C7HF13 — CID 87076226

IUPAC1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene
SMILESFC(F)=C(F)C(F)(C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7HF13/c8-1(2(9)10)4(12,7(18,19)20)5(13,14)3(11)6(15,16)17/h3H
InChIKeyDGUKPIUMUZVCFF-UHFFFAOYSA-N
MW332.06 g/mol
LogP4.87
Rot. Bonds3

About 1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene

1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene (PubChem CID 87076226) has the molecular formula C7HF13 and a molecular weight of 332.06 g/mol. Its IUPAC name is 1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene
PubChem CID87076226
Molecular FormulaC7HF13
Molecular Weight332.06 g/mol
Exact Mass331.99
IUPAC Name1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene
SMILESFC(F)=C(F)C(F)(C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7HF13/c8-1(2(9)10)4(12,7(18,19)20)5(13,14)3(11)6(15,16)17/h3H
InChIKeyDGUKPIUMUZVCFF-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.06
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene?
The IUPAC name of 1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene (CID 87076226) is 1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene is FC(F)=C(F)C(F)(C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene?
The InChIKey is DGUKPIUMUZVCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF13/c8-1(2(9)10)4(12,7(18,19)20)5(13,14)3(11)6(15,16)17/h3H.
What are the key properties of 1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene?
1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene has a molecular weight of 332.06 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 87076226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).