4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene

C13H16F6 — CID 90816058

IUPAC4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene
SMILESC=C(C=C(C)C=C(CCCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H16F6/c1-4-5-6-11(13(17,18)19)8-9(2)7-10(3)12(14,15)16/h7-8H,3-6H2,1-2H3
InChIKeyVCMIJVJHBDDDDY-UHFFFAOYSA-N
MW286.26 g/mol
LogP5.73
Rot. Bonds5

About 4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene

4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene (PubChem CID 90816058) has the molecular formula C13H16F6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene.

Molecular Properties

Compound Name4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene
PubChem CID90816058
Molecular FormulaC13H16F6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene
SMILESC=C(C=C(C)C=C(CCCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H16F6/c1-4-5-6-11(13(17,18)19)8-9(2)7-10(3)12(14,15)16/h7-8H,3-6H2,1-2H3
InChIKeyVCMIJVJHBDDDDY-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.26
LogP ≤ 55.73
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

5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-2-ene
CID 71331659
5,6,6,7,7,8,8,8-Octafluoro-2-methylocta-2,4-diene
CID 71429349
1,1,1,2,2,3,3,4,4-Nonafluoro-5-methylundec-5-ene
CID 85549144
(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene
CID 12519453
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldec-2-ene
CID 21254186
5,5,6,6,7,7,7-Heptafluoro-2-methyl-2-heptene
CID 24973628
5-(2,2,2-Trifluoroethylidene)nonane
CID 121217681
Tetrafluorodecadiene
CID 129820641
1,4-Bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene
CID 134898001
2,3-Bis(3,3,3-trifluoropropyl)cyclopentadiene
CID 139104303
5-(3,3,3-Trifluoro-propylidene)-nonane
CID 14400285
(E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene
CID 10536877

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene?
The IUPAC name of 4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene (CID 90816058) is 4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene.
What is the SMILES notation for 4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene?
The canonical SMILES for 4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene is C=C(C=C(C)C=C(CCCC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene?
The InChIKey is VCMIJVJHBDDDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F6/c1-4-5-6-11(13(17,18)19)8-9(2)7-10(3)12(14,15)16/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene?
4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene has a molecular weight of 286.26 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(trifluoromethyl)deca-1,3,5-triene is sourced from PubChem (CID 90816058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).