(3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene

C9H11F3 — CID 87430179

IUPAC(3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C(/C=C(C)\C=C/C)C(F)(F)F
InChIInChI=1S/C9H11F3/c1-4-5-7(2)6-8(3)9(10,11)12/h4-6H,3H2,1-2H3/b5-4-,7-6-
InChIKeyYMYWDBCRZJHMHN-RZSVFLSASA-N
MW176.18 g/mol
LogP3.63
Rot. Bonds2

About (3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene

(3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 87430179) has the molecular formula C9H11F3 and a molecular weight of 176.18 g/mol. Its IUPAC name is (3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID87430179
Molecular FormulaC9H11F3
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name(3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C(/C=C(C)\C=C/C)C(F)(F)F
InChIInChI=1S/C9H11F3/c1-4-5-7(2)6-8(3)9(10,11)12/h4-6H,3H2,1-2H3/b5-4-,7-6-
InChIKeyYMYWDBCRZJHMHN-RZSVFLSASA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene (CID 87430179) is (3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene is C=C(/C=C(C)\C=C/C)C(F)(F)F.
What is the InChIKey of (3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is YMYWDBCRZJHMHN-RZSVFLSASA-N. The full InChI is InChI=1S/C9H11F3/c1-4-5-7(2)6-8(3)9(10,11)12/h4-6H,3H2,1-2H3/b5-4-,7-6-.
What are the key properties of (3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene?
(3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 176.18 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 87430179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).