6-methyl-3-(trifluoromethyl)deca-2,4,6-triene

C12H17F3 — CID 91064604

IUPAC6-methyl-3-(trifluoromethyl)deca-2,4,6-triene
SMILESCC=C(C=CC(C)=CCCC)C(F)(F)F
InChIInChI=1S/C12H17F3/c1-4-6-7-10(3)8-9-11(5-2)12(13,14)15/h5,7-9H,4,6H2,1-3H3
InChIKeyUZGLNIFNBMKNDI-UHFFFAOYSA-N
MW218.26 g/mol
LogP4.80
Rot. Bonds4

About 6-methyl-3-(trifluoromethyl)deca-2,4,6-triene

6-methyl-3-(trifluoromethyl)deca-2,4,6-triene (PubChem CID 91064604) has the molecular formula C12H17F3 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethyl)deca-2,4,6-triene.

Molecular Properties

Compound Name6-methyl-3-(trifluoromethyl)deca-2,4,6-triene
PubChem CID91064604
Molecular FormulaC12H17F3
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name6-methyl-3-(trifluoromethyl)deca-2,4,6-triene
SMILESCC=C(C=CC(C)=CCCC)C(F)(F)F
InChIInChI=1S/C12H17F3/c1-4-6-7-10(3)8-9-11(5-2)12(13,14)15/h5,7-9H,4,6H2,1-3H3
InChIKeyUZGLNIFNBMKNDI-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,6,6,7,7,8,8,8-Octafluoro-2-methylocta-2,4-diene
CID 71429349
5-Ethyl-3-methyl-2E,4E,6E-nonatriene
CID 11805103
7-Ethyl-3,5-dimethyl-2E,4E,6E,8E-decatetraene
CID 14824981
7-Ethyl-3,5-dimethyl-2E,4E,6E,8E-undecatetraene
CID 14824984
6-Ethyl-4-methyl-3E,5E,7E-decatriene
CID 56936065
12-Methyl-1,5,9,11-tridecatetraene
CID 564371
3,8-Dimethylnona-1,3,7-triene
CID 85320695
1,5,9,11-Tridecatetraene, 12-methyl-, (E,E)-
CID 5368737
5-Ethyl-7-methyl-3E,5E,7E-undecatriene
CID 56936064
(3Z)-3,8-dimethylnona-1,3,7-triene
CID 10931614
2,6-Dimethyl-1,3,6-octatriene
CID 11137221
(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene
CID 12519453

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(trifluoromethyl)deca-2,4,6-triene?
The IUPAC name of 6-methyl-3-(trifluoromethyl)deca-2,4,6-triene (CID 91064604) is 6-methyl-3-(trifluoromethyl)deca-2,4,6-triene.
What is the SMILES notation for 6-methyl-3-(trifluoromethyl)deca-2,4,6-triene?
The canonical SMILES for 6-methyl-3-(trifluoromethyl)deca-2,4,6-triene is CC=C(C=CC(C)=CCCC)C(F)(F)F.
What is the InChIKey of 6-methyl-3-(trifluoromethyl)deca-2,4,6-triene?
The InChIKey is UZGLNIFNBMKNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3/c1-4-6-7-10(3)8-9-11(5-2)12(13,14)15/h5,7-9H,4,6H2,1-3H3.
What are the key properties of 6-methyl-3-(trifluoromethyl)deca-2,4,6-triene?
6-methyl-3-(trifluoromethyl)deca-2,4,6-triene has a molecular weight of 218.26 g/mol, XLogP of 4.80, 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)deca-2,4,6-triene is sourced from PubChem (CID 91064604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).