7,7,7-trifluoro-5-methylhepta-2,3,5-triene

C8H9F3 — CID 57124223

IUPAC7,7,7-trifluoro-5-methylhepta-2,3,5-triene
SMILESCC=C=CC(C)=CC(F)(F)F
InChIInChI=1S/C8H9F3/c1-3-4-5-7(2)6-8(9,10)11/h3,5-6H,1-2H3
InChIKeyDMRWYYQYLFKYKW-UHFFFAOYSA-N
MW162.15 g/mol
LogP3.23
Rot. Bonds1

About 7,7,7-trifluoro-5-methylhepta-2,3,5-triene

7,7,7-trifluoro-5-methylhepta-2,3,5-triene (PubChem CID 57124223) has the molecular formula C8H9F3 and a molecular weight of 162.15 g/mol. Its IUPAC name is 7,7,7-trifluoro-5-methylhepta-2,3,5-triene.

Molecular Properties

Compound Name7,7,7-trifluoro-5-methylhepta-2,3,5-triene
PubChem CID57124223
Molecular FormulaC8H9F3
Molecular Weight162.15 g/mol
Exact Mass162.07
IUPAC Name7,7,7-trifluoro-5-methylhepta-2,3,5-triene
SMILESCC=C=CC(C)=CC(F)(F)F
InChIInChI=1S/C8H9F3/c1-3-4-5-7(2)6-8(9,10)11/h3,5-6H,1-2H3
InChIKeyDMRWYYQYLFKYKW-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 53.23
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 7,7,7-trifluoro-5-methylhepta-2,3,5-triene?
The IUPAC name of 7,7,7-trifluoro-5-methylhepta-2,3,5-triene (CID 57124223) is 7,7,7-trifluoro-5-methylhepta-2,3,5-triene.
What is the SMILES notation for 7,7,7-trifluoro-5-methylhepta-2,3,5-triene?
The canonical SMILES for 7,7,7-trifluoro-5-methylhepta-2,3,5-triene is CC=C=CC(C)=CC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-5-methylhepta-2,3,5-triene?
The InChIKey is DMRWYYQYLFKYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3/c1-3-4-5-7(2)6-8(9,10)11/h3,5-6H,1-2H3.
What are the key properties of 7,7,7-trifluoro-5-methylhepta-2,3,5-triene?
7,7,7-trifluoro-5-methylhepta-2,3,5-triene has a molecular weight of 162.15 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-5-methylhepta-2,3,5-triene is sourced from PubChem (CID 57124223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).