(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene

C11H13F9 — CID 176629655

IUPAC(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene
SMILESCC(C)(C)C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F9/c1-7(2,3)5-4-6-8(12,13)9(14,15)10(16,17)11(18,19)20/h4,6H,5H2,1-3H3/b6-4+
InChIKeySBAUHDFHJCQFHE-GQCTYLIASA-N
MW316.21 g/mol
LogP5.45
Rot. Bonds4

About (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene

(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene (PubChem CID 176629655) has the molecular formula C11H13F9 and a molecular weight of 316.21 g/mol. Its IUPAC name is (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene.

Molecular Properties

Compound Name(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene
PubChem CID176629655
Molecular FormulaC11H13F9
Molecular Weight316.21 g/mol
Exact Mass316.09
IUPAC Name(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene
SMILESCC(C)(C)C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F9/c1-7(2,3)5-4-6-8(12,13)9(14,15)10(16,17)11(18,19)20/h4,6H,5H2,1-3H3/b6-4+
InChIKeySBAUHDFHJCQFHE-GQCTYLIASA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.21
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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CID 13299944
ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene
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1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene
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(E)-9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluorohexadec-7-ene
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1,3,3,4,4,5,5,6,6,6-decafluorohex-1-ene
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4,4,5,5,6,6,6-heptafluoro-1-methylsulfanylhex-2-ene
CID 91562919
1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-docosafluorododec-1-ene
CID 87484232
2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol
CID 87552949
1-fluoro-4,4-dimethylpent-1-ene
CID 123199486
2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-enoxy)oxirane
CID 89298919
(4Z,7Z)-2,2,10,10-tetramethylundeca-4,7-diene
CID 176844045

Frequently Asked Questions

What is the IUPAC name of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene?
The IUPAC name of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene (CID 176629655) is (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene.
What is the SMILES notation for (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene?
The canonical SMILES for (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene is CC(C)(C)C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene?
The InChIKey is SBAUHDFHJCQFHE-GQCTYLIASA-N. The full InChI is InChI=1S/C11H13F9/c1-7(2,3)5-4-6-8(12,13)9(14,15)10(16,17)11(18,19)20/h4,6H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene?
(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene has a molecular weight of 316.21 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene is sourced from PubChem (CID 176629655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).