3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene

C7H6F8O — CID 71429342

IUPAC3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene
SMILESCOCC=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F8O/c1-16-3-2-4(8)5(9,10)6(11,12)7(13,14)15/h2H,3H2,1H3
InChIKeyRLTXKMUREFPOAZ-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.32
Rot. Bonds4

About 3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene

3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene (PubChem CID 71429342) has the molecular formula C7H6F8O and a molecular weight of 258.11 g/mol. Its IUPAC name is 3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene.

Molecular Properties

Compound Name3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene
PubChem CID71429342
Molecular FormulaC7H6F8O
Molecular Weight258.11 g/mol
Exact Mass258.03
IUPAC Name3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene
SMILESCOCC=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F8O/c1-16-3-2-4(8)5(9,10)6(11,12)7(13,14)15/h2H,3H2,1H3
InChIKeyRLTXKMUREFPOAZ-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3,4,4,5,5,6,6,6-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)hex-2-ene
CID 9979030
4-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoropent-2-ene
CID 12756904
1,1,1,3,4,4,5,5,5-Nonafluoro-2-(methoxymethyl)pent-2-ene
CID 91733916
(E)-1,1-difluoro-1-methoxyhex-2-ene
CID 21353168
4,4,5,5,6,6,6-Heptafluoro-1-propoxyhex-2-ene
CID 90755162
4,4,5,5,5-Pentafluoro-1-methoxy-3-methylpent-2-ene
CID 91153095
4,4,5,5,6,6,6-Heptafluoro-1-methoxyhex-2-ene
CID 91264552
1-Ethoxy-4,4,5,5,6,6,6-heptafluorohex-2-ene
CID 91414688
(E)-1,1,2,3,4,4-hexafluoro-1-methoxypent-2-ene
CID 135128622
(E)-1,1,2,3,4,4-hexafluoro-1-propoxyhex-2-ene
CID 135128626
(E)-1-ethoxy-1,1,2,3,4,4-hexafluorohex-2-ene
CID 135128649
(Z)-5,5,5-trifluoro-1-methoxypent-2-ene
CID 141961907

Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene?
The IUPAC name of 3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene (CID 71429342) is 3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene.
What is the SMILES notation for 3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene?
The canonical SMILES for 3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene is COCC=C(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene?
The InChIKey is RLTXKMUREFPOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O/c1-16-3-2-4(8)5(9,10)6(11,12)7(13,14)15/h2H,3H2,1H3.
What are the key properties of 3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene?
3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene has a molecular weight of 258.11 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene is sourced from PubChem (CID 71429342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).