(3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene

C10H13F3 — CID 142213266

IUPAC(3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene
SMILESC=C/C=C(C)\C=C/C(C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-4-5-8(2)6-7-9(3)10(11,12)13/h4-7,9H,1H2,2-3H3/b7-6-,8-5-
InChIKeyJKKLBRCNPKHKII-HSHIGALWSA-N
MW190.21 g/mol
LogP3.87
Rot. Bonds3

About (3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene

(3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene (PubChem CID 142213266) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is (3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene
PubChem CID142213266
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name(3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene
SMILESC=C/C=C(C)\C=C/C(C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-4-5-8(2)6-7-9(3)10(11,12)13/h4-7,9H,1H2,2-3H3/b7-6-,8-5-
InChIKeyJKKLBRCNPKHKII-HSHIGALWSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.87
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

(3Z,5Z)-5-methyl-N-(trifluoromethyl)octa-3,5,7-trien-2-amine
CID 162543911
3-methylhexa-1,3,5-trien-1-ol
CID 173388708
ethane;4-ethyl-2-[(3E,5Z)-8,8,8-trifluoro-7-methylocta-1,3,5-trien-4-yl]-1,3-thiazole
CID 143043460
fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257
1,4,4,4-tetrafluoro-3-methylbut-1-ene
CID 141177042
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene
CID 142269776
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
(3Z,5E)-1,1,1-trifluoro-2-methyl-5-(1-methylsulfanylethenyl)octa-3,5-diene
CID 143069176
(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
(4Z,6Z)-8-fluoro-5-methylnona-1,2,4,6-tetraene
CID 155483785

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene (CID 142213266) is (3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene is C=C/C=C(C)\C=C/C(C)C(F)(F)F.
What is the InChIKey of (3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene?
The InChIKey is JKKLBRCNPKHKII-HSHIGALWSA-N. The full InChI is InChI=1S/C10H13F3/c1-4-5-8(2)6-7-9(3)10(11,12)13/h4-7,9H,1H2,2-3H3/b7-6-,8-5-.
What are the key properties of (3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene?
(3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene has a molecular weight of 190.21 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene is sourced from PubChem (CID 142213266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).