(3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene

C11H13F3 — CID 88915970

IUPAC(3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene
SMILESC=C(C)/C=C(C)\C=C/C(=C)C(F)(F)F
InChIInChI=1S/C11H13F3/c1-8(2)7-9(3)5-6-10(4)11(12,13)14/h5-7H,1,4H2,2-3H3/b6-5-,9-7-
InChIKeyDRUWCXHPEDIAHG-LZWBOMALSA-N
MW202.22 g/mol
LogP4.18
Rot. Bonds3

About (3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene

(3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene (PubChem CID 88915970) has the molecular formula C11H13F3 and a molecular weight of 202.22 g/mol. Its IUPAC name is (3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene
PubChem CID88915970
Molecular FormulaC11H13F3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name(3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene
SMILESC=C(C)/C=C(C)\C=C/C(=C)C(F)(F)F
InChIInChI=1S/C11H13F3/c1-8(2)7-9(3)5-6-10(4)11(12,13)14/h5-7H,1,4H2,2-3H3/b6-5-,9-7-
InChIKeyDRUWCXHPEDIAHG-LZWBOMALSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 54.18
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

Dimethylhexadiene
CID 6365525
Cosmene
CID 5368451
5,6,6,7,7,8,8,8-Octafluoro-2-methylocta-2,4-diene
CID 71429349
2,5-Dimethyl-1,3,5-hexatriene
CID 5463210
(E)-2,4-Hexadiene, 2,3-dimethyl-
CID 5368953
2,6-Dimethyl-1,3,5,7-Octatetraene
CID 562418
(E,E)-1,3,5-Heptatriene, 5-methyl-
CID 5463334
3-Methyl-1,1-bis(trifluoromethyl)butadiene
CID 85822569
5,5-Difluoro-2-methylpent-2-ene
CID 14092768
2-(Trifluoromethyl)cyclopenta-1,3-diene
CID 17775240
5,5,5-Trifluoro-2-methylpent-2-ene
CID 53930878
5-(2,2,2-Trifluoroethylidene)cyclopenta-1,3-diene
CID 85815320

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene?
The IUPAC name of (3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene (CID 88915970) is (3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene.
What is the SMILES notation for (3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene?
The canonical SMILES for (3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene is C=C(C)/C=C(C)\C=C/C(=C)C(F)(F)F.
What is the InChIKey of (3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene?
The InChIKey is DRUWCXHPEDIAHG-LZWBOMALSA-N. The full InChI is InChI=1S/C11H13F3/c1-8(2)7-9(3)5-6-10(4)11(12,13)14/h5-7H,1,4H2,2-3H3/b6-5-,9-7-.
What are the key properties of (3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene?
(3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene has a molecular weight of 202.22 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2,4-dimethyl-7-(trifluoromethyl)octa-1,3,5,7-tetraene is sourced from PubChem (CID 88915970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).