1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene

C12H14F8O — CID 141435544

IUPAC1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene
SMILESFC(F)CC=CC(F)(F)COCC(F)(F)C=CCC(F)F
InChIInChI=1S/C12H14F8O/c13-9(14)3-1-5-11(17,18)7-21-8-12(19,20)6-2-4-10(15)16/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyWRUIDCMLFNRGTL-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.70
Rot. Bonds10

About 1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene

1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene (PubChem CID 141435544) has the molecular formula C12H14F8O and a molecular weight of 326.23 g/mol. Its IUPAC name is 1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene.

Molecular Properties

Compound Name1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene
PubChem CID141435544
Molecular FormulaC12H14F8O
Molecular Weight326.23 g/mol
Exact Mass326.09
IUPAC Name1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene
SMILESFC(F)CC=CC(F)(F)COCC(F)(F)C=CCC(F)F
InChIInChI=1S/C12H14F8O/c13-9(14)3-1-5-11(17,18)7-21-8-12(19,20)6-2-4-10(15)16/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyWRUIDCMLFNRGTL-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene
CID 160696871
2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane
CID 87137039
(Z)-1,1,1-trifluoro-5-methylhex-2-ene
CID 176664146
(E,5R,6R)-1,1,1-trifluoro-5,6-dimethyloct-2-ene
CID 174009478
3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane
CID 174988220
2-[(E)-4,4,4-trifluorobut-2-enyl]propanedioic acid
CID 172893227
1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331
2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hex-3-ene
CID 76738468
1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
CID 103474862
5-[4-(4,4-difluorobut-1-enyl)cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 54047120
1,1,4,6,6,6-hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene
CID 141454660
2,2-difluorobut-3-enoxymethylbenzene
CID 170548757

Frequently Asked Questions

What is the IUPAC name of 1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene?
The IUPAC name of 1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene (CID 141435544) is 1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene.
What is the SMILES notation for 1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene?
The canonical SMILES for 1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene is FC(F)CC=CC(F)(F)COCC(F)(F)C=CCC(F)F.
What is the InChIKey of 1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene?
The InChIKey is WRUIDCMLFNRGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F8O/c13-9(14)3-1-5-11(17,18)7-21-8-12(19,20)6-2-4-10(15)16/h1-2,5-6,9-10H,3-4,7-8H2.
What are the key properties of 1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene?
1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene has a molecular weight of 326.23 g/mol, XLogP of 4.70, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene is sourced from PubChem (CID 141435544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).