(3Z)-2-(trifluoromethyl)hexa-1,3,5-triene

C7H7F3 — CID 134219655

IUPAC(3Z)-2-(trifluoromethyl)hexa-1,3,5-triene
SMILESC=C/C=C\C(=C)C(F)(F)F
InChIInChI=1S/C7H7F3/c1-3-4-5-6(2)7(8,9)10/h3-5H,1-2H2/b5-4-
InChIKeyFOSBVRSLZUZSJT-PLNGDYQASA-N
MW148.13 g/mol
LogP2.85
Rot. Bonds2

About (3Z)-2-(trifluoromethyl)hexa-1,3,5-triene

(3Z)-2-(trifluoromethyl)hexa-1,3,5-triene (PubChem CID 134219655) has the molecular formula C7H7F3 and a molecular weight of 148.13 g/mol. Its IUPAC name is (3Z)-2-(trifluoromethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2-(trifluoromethyl)hexa-1,3,5-triene
PubChem CID134219655
Molecular FormulaC7H7F3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name(3Z)-2-(trifluoromethyl)hexa-1,3,5-triene
SMILESC=C/C=C\C(=C)C(F)(F)F
InChIInChI=1S/C7H7F3/c1-3-4-5-6(2)7(8,9)10/h3-5H,1-2H2/b5-4-
InChIKeyFOSBVRSLZUZSJT-PLNGDYQASA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 52.85
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)-2-(trifluoromethyl)hexa-1,3,5-triene?
The IUPAC name of (3Z)-2-(trifluoromethyl)hexa-1,3,5-triene (CID 134219655) is (3Z)-2-(trifluoromethyl)hexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2-(trifluoromethyl)hexa-1,3,5-triene?
The canonical SMILES for (3Z)-2-(trifluoromethyl)hexa-1,3,5-triene is C=C/C=C\C(=C)C(F)(F)F.
What is the InChIKey of (3Z)-2-(trifluoromethyl)hexa-1,3,5-triene?
The InChIKey is FOSBVRSLZUZSJT-PLNGDYQASA-N. The full InChI is InChI=1S/C7H7F3/c1-3-4-5-6(2)7(8,9)10/h3-5H,1-2H2/b5-4-.
What are the key properties of (3Z)-2-(trifluoromethyl)hexa-1,3,5-triene?
(3Z)-2-(trifluoromethyl)hexa-1,3,5-triene has a molecular weight of 148.13 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-(trifluoromethyl)hexa-1,3,5-triene is sourced from PubChem (CID 134219655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).