1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene

C12H13F3 — CID 170636516

IUPAC1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1CC=CC=C1C1C=CCC1
InChIInChI=1S/C12H13F3/c13-12(14,15)11-8-4-3-7-10(11)9-5-1-2-6-9/h1,3-5,7,9,11H,2,6,8H2
InChIKeyDYWUGWOHHYLQJH-UHFFFAOYSA-N
MW214.23 g/mol
LogP4.02
Rot. Bonds1

About 1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene

1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 170636516) has the molecular formula C12H13F3 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID170636516
Molecular FormulaC12H13F3
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1CC=CC=C1C1C=CCC1
InChIInChI=1S/C12H13F3/c13-12(14,15)11-8-4-3-7-10(11)9-5-1-2-6-9/h1,3-5,7,9,11H,2,6,8H2
InChIKeyDYWUGWOHHYLQJH-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene 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

8,9-Bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene
CID 134964338
3-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
CID 134981984
11,12-Bis(trifluoromethyl)bicyclo[8.2.2]tetradeca-11,13-diene
CID 12453823
Zqvfkqsceklvrn-uhfffaoysa-
CID 23264815
3-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 14295660
1-(1,1,1-Trifluoropropan-2-yl)cyclohexa-1,3-diene
CID 19020210
3-(1,1,2,3,3,3-Hexafluoropropyl)cyclohex-1-ene
CID 21486071
1-Ethyl-3-(3,3,3-trifluoropropyl)cyclohexene
CID 56630849
2-(3,3,4,4,5,5-Hexafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
CID 57628917
2-(3,3,4,4,5,5,7,7,8,8,9,9-Dodecafluorononyl)bicyclo[2.2.1]hepta-2,5-diene
CID 57629072
1-Propan-2-yl-4-(trifluoromethyl)cyclohexene
CID 58270178
[5,7,7,7-Tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium
CID 58690125

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene (CID 170636516) is 1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene is FC(F)(F)C1CC=CC=C1C1C=CCC1.
What is the InChIKey of 1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is DYWUGWOHHYLQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3/c13-12(14,15)11-8-4-3-7-10(11)9-5-1-2-6-9/h1,3-5,7,9,11H,2,6,8H2.
What are the key properties of 1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene?
1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 214.23 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 170636516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).