3-(trifluoromethyl)hexa-2,4-diene

C7H9F3 — CID 59906048

IUPAC3-(trifluoromethyl)hexa-2,4-diene
SMILESCC=CC(=CC)C(F)(F)F
InChIInChI=1S/C7H9F3/c1-3-5-6(4-2)7(8,9)10/h3-5H,1-2H3
InChIKeyIXMSYGRKMPVIPY-UHFFFAOYSA-N
MW150.14 g/mol
LogP3.07
Rot. Bonds1

About 3-(trifluoromethyl)hexa-2,4-diene

3-(trifluoromethyl)hexa-2,4-diene (PubChem CID 59906048) has the molecular formula C7H9F3 and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)hexa-2,4-diene.

Molecular Properties

Compound Name3-(trifluoromethyl)hexa-2,4-diene
PubChem CID59906048
Molecular FormulaC7H9F3
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name3-(trifluoromethyl)hexa-2,4-diene
SMILESCC=CC(=CC)C(F)(F)F
InChIInChI=1S/C7H9F3/c1-3-5-6(4-2)7(8,9)10/h3-5H,1-2H3
InChIKeyIXMSYGRKMPVIPY-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 53.07
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 3-(trifluoromethyl)hexa-2,4-diene?
The IUPAC name of 3-(trifluoromethyl)hexa-2,4-diene (CID 59906048) is 3-(trifluoromethyl)hexa-2,4-diene.
What is the SMILES notation for 3-(trifluoromethyl)hexa-2,4-diene?
The canonical SMILES for 3-(trifluoromethyl)hexa-2,4-diene is CC=CC(=CC)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)hexa-2,4-diene?
The InChIKey is IXMSYGRKMPVIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3/c1-3-5-6(4-2)7(8,9)10/h3-5H,1-2H3.
What are the key properties of 3-(trifluoromethyl)hexa-2,4-diene?
3-(trifluoromethyl)hexa-2,4-diene has a molecular weight of 150.14 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)hexa-2,4-diene is sourced from PubChem (CID 59906048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).