6-methyl-3-(trifluoromethyl)nona-1,3,5-triene

C11H15F3 — CID 90765222

IUPAC6-methyl-3-(trifluoromethyl)nona-1,3,5-triene
SMILESC=CC(=CC=C(C)CCC)C(F)(F)F
InChIInChI=1S/C11H15F3/c1-4-6-9(3)7-8-10(5-2)11(12,13)14/h5,7-8H,2,4,6H2,1,3H3
InChIKeyRKVDEKRCROJXJG-UHFFFAOYSA-N
MW204.23 g/mol
LogP4.41
Rot. Bonds4

About 6-methyl-3-(trifluoromethyl)nona-1,3,5-triene

6-methyl-3-(trifluoromethyl)nona-1,3,5-triene (PubChem CID 90765222) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethyl)nona-1,3,5-triene.

Molecular Properties

Compound Name6-methyl-3-(trifluoromethyl)nona-1,3,5-triene
PubChem CID90765222
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name6-methyl-3-(trifluoromethyl)nona-1,3,5-triene
SMILESC=CC(=CC=C(C)CCC)C(F)(F)F
InChIInChI=1S/C11H15F3/c1-4-6-9(3)7-8-10(5-2)11(12,13)14/h5,7-8H,2,4,6H2,1,3H3
InChIKeyRKVDEKRCROJXJG-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(trifluoromethyl)nona-1,3,5-triene?
The IUPAC name of 6-methyl-3-(trifluoromethyl)nona-1,3,5-triene (CID 90765222) is 6-methyl-3-(trifluoromethyl)nona-1,3,5-triene.
What is the SMILES notation for 6-methyl-3-(trifluoromethyl)nona-1,3,5-triene?
The canonical SMILES for 6-methyl-3-(trifluoromethyl)nona-1,3,5-triene is C=CC(=CC=C(C)CCC)C(F)(F)F.
What is the InChIKey of 6-methyl-3-(trifluoromethyl)nona-1,3,5-triene?
The InChIKey is RKVDEKRCROJXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3/c1-4-6-9(3)7-8-10(5-2)11(12,13)14/h5,7-8H,2,4,6H2,1,3H3.
What are the key properties of 6-methyl-3-(trifluoromethyl)nona-1,3,5-triene?
6-methyl-3-(trifluoromethyl)nona-1,3,5-triene has a molecular weight of 204.23 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(trifluoromethyl)nona-1,3,5-triene is sourced from PubChem (CID 90765222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).