(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene

C11H17F3 — CID 12519453

IUPAC(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CC(F)(F)F
InChIInChI=1S/C11H17F3/c1-9(2)5-4-6-10(3)7-8-11(12,13)14/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKeyHBJKLGBBTSWGRV-JXMROGBWSA-N
MW206.25 g/mol
LogP4.63
Rot. Bonds4

About (6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene

(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene (PubChem CID 12519453) has the molecular formula C11H17F3 and a molecular weight of 206.25 g/mol. Its IUPAC name is (6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene.

Molecular Properties

Compound Name(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene
PubChem CID12519453
Molecular FormulaC11H17F3
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CC(F)(F)F
InChIInChI=1S/C11H17F3/c1-9(2)5-4-6-10(3)7-8-11(12,13)14/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKeyHBJKLGBBTSWGRV-JXMROGBWSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene?
The IUPAC name of (6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene (CID 12519453) is (6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene.
What is the SMILES notation for (6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene?
The canonical SMILES for (6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene is CC(C)=CCC/C(C)=C/CC(F)(F)F.
What is the InChIKey of (6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene?
The InChIKey is HBJKLGBBTSWGRV-JXMROGBWSA-N. The full InChI is InChI=1S/C11H17F3/c1-9(2)5-4-6-10(3)7-8-11(12,13)14/h5,7H,4,6,8H2,1-3H3/b10-7+.
What are the key properties of (6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene?
(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene has a molecular weight of 206.25 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene is sourced from PubChem (CID 12519453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).