5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene

C12H14F8O — CID 142659700

IUPAC5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene
SMILESC=CCOC(C=C)CC(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C12H14F8O/c1-4-6-21-8(5-2)7-10(15,16)12(19,20)11(17,18)9(3,13)14/h4-5,8H,1-2,6-7H2,3H3
InChIKeyCOQVGMSQJUJFBZ-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.69
Rot. Bonds9

About 5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene

5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene (PubChem CID 142659700) has the molecular formula C12H14F8O and a molecular weight of 326.23 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene
PubChem CID142659700
Molecular FormulaC12H14F8O
Molecular Weight326.23 g/mol
Exact Mass326.09
IUPAC Name5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene
SMILESC=CCOC(C=C)CC(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C12H14F8O/c1-4-6-21-8(5-2)7-10(15,16)12(19,20)11(17,18)9(3,13)14/h4-5,8H,1-2,6-7H2,3H3
InChIKeyCOQVGMSQJUJFBZ-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate
CID 151064296
dimethyl-bis(1-prop-2-enoxyethyl)azanium
CID 87092032
bis(ethenyl)-dimethylsilane;[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-iodo-10-[1-iodopropyl(dimethyl)silyl]dec-1-enyl]-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-dimethylsilane
CID 159107408
2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane
CID 158825980
2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane
CID 19782043
ethane;2,2,3,3,4,4,5,5-octafluorohexane
CID 144773774
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol
CID 91174488
3-[fluoro(methoxy)methoxy]prop-1-ene
CID 174814514
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-4-ol
CID 154477195
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-10-prop-2-enoxydecane
CID 102243921
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane
CID 102243922
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane
CID 88608643

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene?
The IUPAC name of 5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene (CID 142659700) is 5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene.
What is the SMILES notation for 5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene?
The canonical SMILES for 5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene is C=CCOC(C=C)CC(F)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene?
The InChIKey is COQVGMSQJUJFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F8O/c1-4-6-21-8(5-2)7-10(15,16)12(19,20)11(17,18)9(3,13)14/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene?
5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene has a molecular weight of 326.23 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8-octafluoro-3-prop-2-enoxynon-1-ene is sourced from PubChem (CID 142659700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).