(3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene

C10H13F3 — CID 143179435

IUPAC(3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene
SMILESC=C(/C=C\C=C/C(C)C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-8(2)6-4-5-7-9(3)10(11,12)13/h4-8H,3H2,1-2H3/b6-4-,7-5-
InChIKeyJSXWOULSZHIIED-PEPZGXQESA-N
MW190.21 g/mol
LogP3.87
Rot. Bonds3

About (3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene

(3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene (PubChem CID 143179435) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is (3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene
PubChem CID143179435
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name(3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene
SMILESC=C(/C=C\C=C/C(C)C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-8(2)6-4-5-7-9(3)10(11,12)13/h4-8H,3H2,1-2H3/b6-4-,7-5-
InChIKeyJSXWOULSZHIIED-PEPZGXQESA-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

(3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene
CID 10888998
(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene
CID 143576225
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine
CID 142914051
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide
CID 153344451
(3Z)-2-chloro-5-methylhexa-1,3-diene
CID 129234698
(3E,5E)-2,2,7-trimethylocta-3,5-diene
CID 166040106
ethane;(2E,3Z,5Z)-2-ethylidene-7-methylocta-3,5-dienenitrile
CID 142062606
3-(trifluoromethyl)buta-1,3-dienylcyclopropane
CID 123524429
(Z)-3-methylbut-1-en-1-ol
CID 58488783
2-(trifluoromethyl)prop-2-enal
CID 6328846

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene?
The IUPAC name of (3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene (CID 143179435) is (3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-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)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene?
The InChIKey is JSXWOULSZHIIED-PEPZGXQESA-N. The full InChI is InChI=1S/C10H13F3/c1-8(2)6-4-5-7-9(3)10(11,12)13/h4-8H,3H2,1-2H3/b6-4-,7-5-.
What are the key properties of (3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene?
(3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-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)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene is sourced from PubChem (CID 143179435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).