1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene

C11H9F13 — CID 58403121

IUPAC1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene
SMILESCC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F13/c1-4(8(14,15)11(22,23)24)5(6(2,12)9(16,17)18)7(3,13)10(19,20)21/h1-3H3
InChIKeyMATIZWGCHVPRIC-UHFFFAOYSA-N
MW388.17 g/mol
LogP6.08
Rot. Bonds3

About 1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene

1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene (PubChem CID 58403121) has the molecular formula C11H9F13 and a molecular weight of 388.17 g/mol. Its IUPAC name is 1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene.

Molecular Properties

Compound Name1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene
PubChem CID58403121
Molecular FormulaC11H9F13
Molecular Weight388.17 g/mol
Exact Mass388.05
IUPAC Name1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene
SMILESCC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F13/c1-4(8(14,15)11(22,23)24)5(6(2,12)9(16,17)18)7(3,13)10(19,20)21/h1-3H3
InChIKeyMATIZWGCHVPRIC-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.17
LogP ≤ 56.08
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene?
The IUPAC name of 1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene (CID 58403121) is 1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene.
What is the SMILES notation for 1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene?
The canonical SMILES for 1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene is CC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene?
The InChIKey is MATIZWGCHVPRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F13/c1-4(8(14,15)11(22,23)24)5(6(2,12)9(16,17)18)7(3,13)10(19,20)21/h1-3H3.
What are the key properties of 1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene?
1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene has a molecular weight of 388.17 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,5,6,6,6-nonafluoro-3,5-dimethyl-4-(1,1,1,2-tetrafluoropropan-2-yl)hex-3-ene is sourced from PubChem (CID 58403121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).