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

C7H7F3 — CID 123196913

IUPAC2-(trifluoromethyl)hexa-1,3,5-triene
SMILESC=CC=CC(=C)C(F)(F)F
InChIInChI=1S/C7H7F3/c1-3-4-5-6(2)7(8,9)10/h3-5H,1-2H2
InChIKeyFOSBVRSLZUZSJT-UHFFFAOYSA-N
MW148.13 g/mol
LogP2.85
Rot. Bonds2

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

2-(trifluoromethyl)hexa-1,3,5-triene (PubChem CID 123196913) has the molecular formula C7H7F3 and a molecular weight of 148.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Name2-(trifluoromethyl)hexa-1,3,5-triene
PubChem CID123196913
Molecular FormulaC7H7F3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name2-(trifluoromethyl)hexa-1,3,5-triene
SMILESC=CC=CC(=C)C(F)(F)F
InChIInChI=1S/C7H7F3/c1-3-4-5-6(2)7(8,9)10/h3-5H,1-2H2
InChIKeyFOSBVRSLZUZSJT-UHFFFAOYSA-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'}

Analyze 2-(trifluoromethyl)hexa-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclobutene, 1-ethenyl-2,3,3-trifluoro-
CID 640496
1-(Trifluoromethyl)cyclopenta-1,3-diene
CID 21188888
3-Methyl-1,1-bis(trifluoromethyl)butadiene
CID 85822569
Lithium, [3-(trifluoromethyl)phenyl]-
CID 10909751
(4-(Trifluoromethyl)phenyl)magnesium bromide
CID 11010353
Lithium, [4-(trifluoromethyl)phenyl]-
CID 11051849
(2-(Trifluoromethyl)phenyl)magnesium bromide, 0.50 M in THF
CID 11368679
Magnesium;trifluoromethylbenzene;bromide
CID 11747026
5-(Trifluoromethyl)-1,3-cyclopentadiene
CID 11987448
Lithium 2-(trifluoromethyl)benzen-1-ide
CID 12434981
3-(Trifluoromethyl)phenylmagnesium chloride
CID 13974373
Chlorozinc(1+);trifluoromethylbenzene
CID 14435811

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)hexa-1,3,5-triene?
The IUPAC name of 2-(trifluoromethyl)hexa-1,3,5-triene (CID 123196913) is 2-(trifluoromethyl)hexa-1,3,5-triene.
What is the SMILES notation for 2-(trifluoromethyl)hexa-1,3,5-triene?
The canonical SMILES for 2-(trifluoromethyl)hexa-1,3,5-triene is C=CC=CC(=C)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)hexa-1,3,5-triene?
The InChIKey is FOSBVRSLZUZSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3/c1-3-4-5-6(2)7(8,9)10/h3-5H,1-2H2.
What are the key properties of 2-(trifluoromethyl)hexa-1,3,5-triene?
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 2-(trifluoromethyl)hexa-1,3,5-triene is sourced from PubChem (CID 123196913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).