2,3,4-trifluoro-5-methylhexa-2,4-diene

C7H9F3 — CID 123537125

IUPAC2,3,4-trifluoro-5-methylhexa-2,4-diene
SMILESCC(C)=C(F)C(F)=C(C)F
InChIInChI=1S/C7H9F3/c1-4(2)6(9)7(10)5(3)8/h1-3H3
InChIKeyYSBSOZKWEPKDNZ-UHFFFAOYSA-N
MW150.14 g/mol
LogP3.42
Rot. Bonds1

About 2,3,4-trifluoro-5-methylhexa-2,4-diene

2,3,4-trifluoro-5-methylhexa-2,4-diene (PubChem CID 123537125) has the molecular formula C7H9F3 and a molecular weight of 150.14 g/mol. Its IUPAC name is 2,3,4-trifluoro-5-methylhexa-2,4-diene.

Molecular Properties

Compound Name2,3,4-trifluoro-5-methylhexa-2,4-diene
PubChem CID123537125
Molecular FormulaC7H9F3
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name2,3,4-trifluoro-5-methylhexa-2,4-diene
SMILESCC(C)=C(F)C(F)=C(C)F
InChIInChI=1S/C7H9F3/c1-4(2)6(9)7(10)5(3)8/h1-3H3
InChIKeyYSBSOZKWEPKDNZ-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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 2,3,4-trifluoro-5-methylhexa-2,4-diene?
The IUPAC name of 2,3,4-trifluoro-5-methylhexa-2,4-diene (CID 123537125) is 2,3,4-trifluoro-5-methylhexa-2,4-diene.
What is the SMILES notation for 2,3,4-trifluoro-5-methylhexa-2,4-diene?
The canonical SMILES for 2,3,4-trifluoro-5-methylhexa-2,4-diene is CC(C)=C(F)C(F)=C(C)F.
What is the InChIKey of 2,3,4-trifluoro-5-methylhexa-2,4-diene?
The InChIKey is YSBSOZKWEPKDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3/c1-4(2)6(9)7(10)5(3)8/h1-3H3.
What are the key properties of 2,3,4-trifluoro-5-methylhexa-2,4-diene?
2,3,4-trifluoro-5-methylhexa-2,4-diene has a molecular weight of 150.14 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-5-methylhexa-2,4-diene is sourced from PubChem (CID 123537125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).