1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene

C6HF9 — CID 87084007

IUPAC1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene
SMILESFC(F)C1=C(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C6HF9/c7-3(8)1-2(6(13,14)15)5(11,12)4(1,9)10/h3H
InChIKeyBQSZZWNLPZVDPT-UHFFFAOYSA-N
MW244.06 g/mol
LogP3.39
Rot. Bonds1

About 1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene

1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene (PubChem CID 87084007) has the molecular formula C6HF9 and a molecular weight of 244.06 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene
PubChem CID87084007
Molecular FormulaC6HF9
Molecular Weight244.06 g/mol
Exact Mass243.99
IUPAC Name1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene
SMILESFC(F)C1=C(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C6HF9/c7-3(8)1-2(6(13,14)15)5(11,12)4(1,9)10/h3H
InChIKeyBQSZZWNLPZVDPT-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene 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

3,3,4,4-Tetrafluoro-1,2-bis(trifluoromethyl)cyclobutene
CID 12708025
1,3,3,4,4-Pentafluoro-2-(pentafluoroethyl)cyclobut-1-ene
CID 12842338
3,3,4,4-Tetrafluoro-1,2-dimethyl-cyclobutene
CID 21731275
1,3,3,4,4-Pentafluoro-2-(trifluoromethyl)cyclobutene
CID 20082199
3,3,4,4-Tetrafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)cyclobutene
CID 14547891
3,3,4,4-Tetrafluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene
CID 140118160
1-(Trifluoromethyl)cyclobutene
CID 178326891
1,1,1,3,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-ene
CID 12730203
1,3,3,4,4-Pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobut-1-ene
CID 71391353
1-Methyl-2,3,3,4,4-pentafluorocyclobutene
CID 17783487
1,3,3,4,4-Pentafluoro-2-(2-iodoethyl)cyclobutene
CID 22445946
1,1,1,3,5,5,5-Heptafluoro-2-(trifluoromethyl)pent-2-ene
CID 23233522

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene?
The IUPAC name of 1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene (CID 87084007) is 1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene.
What is the SMILES notation for 1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene?
The canonical SMILES for 1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene is FC(F)C1=C(C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene?
The InChIKey is BQSZZWNLPZVDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF9/c7-3(8)1-2(6(13,14)15)5(11,12)4(1,9)10/h3H.
What are the key properties of 1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene?
1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene has a molecular weight of 244.06 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,3,4,4-tetrafluoro-2-(trifluoromethyl)cyclobutene is sourced from PubChem (CID 87084007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).