2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene

C7H5F7 — CID 18737307

IUPAC2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene
SMILESC=CC(F)(C(F)(F)F)C(F)(F)C(=C)F
InChIInChI=1S/C7H5F7/c1-3-5(9,7(12,13)14)6(10,11)4(2)8/h3H,1-2H2
InChIKeyWMMPTVTZZJCNFU-UHFFFAOYSA-N
MW222.10 g/mol
LogP3.56
Rot. Bonds3

About 2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene

2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene (PubChem CID 18737307) has the molecular formula C7H5F7 and a molecular weight of 222.10 g/mol. Its IUPAC name is 2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene.

Molecular Properties

Compound Name2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene
PubChem CID18737307
Molecular FormulaC7H5F7
Molecular Weight222.10 g/mol
Exact Mass222.03
IUPAC Name2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene
SMILESC=CC(F)(C(F)(F)F)C(F)(F)C(=C)F
InChIInChI=1S/C7H5F7/c1-3-5(9,7(12,13)14)6(10,11)4(2)8/h3H,1-2H2
InChIKeyWMMPTVTZZJCNFU-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene?
The IUPAC name of 2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene (CID 18737307) is 2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene.
What is the SMILES notation for 2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene?
The canonical SMILES for 2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene is C=CC(F)(C(F)(F)F)C(F)(F)C(=C)F.
What is the InChIKey of 2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene?
The InChIKey is WMMPTVTZZJCNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7/c1-3-5(9,7(12,13)14)6(10,11)4(2)8/h3H,1-2H2.
What are the key properties of 2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene?
2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene has a molecular weight of 222.10 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene is sourced from PubChem (CID 18737307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).