5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene

C9H7F5 — CID 18546423

IUPAC5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESC=CC1(C(F)(F)F)C=CC=CC1(F)F
InChIInChI=1S/C9H7F5/c1-2-7(9(12,13)14)5-3-4-6-8(7,10)11/h2-6H,1H2
InChIKeyHNFKMXRKRBYZJN-UHFFFAOYSA-N
MW210.15 g/mol
LogP3.48
Rot. Bonds1

About 5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene

5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 18546423) has the molecular formula C9H7F5 and a molecular weight of 210.15 g/mol. Its IUPAC name is 5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID18546423
Molecular FormulaC9H7F5
Molecular Weight210.15 g/mol
Exact Mass210.05
IUPAC Name5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESC=CC1(C(F)(F)F)C=CC=CC1(F)F
InChIInChI=1S/C9H7F5/c1-2-7(9(12,13)14)5-3-4-6-8(7,10)11/h2-6H,1H2
InChIKeyHNFKMXRKRBYZJN-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene (CID 18546423) is 5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene is C=CC1(C(F)(F)F)C=CC=CC1(F)F.
What is the InChIKey of 5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is HNFKMXRKRBYZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5/c1-2-7(9(12,13)14)5-3-4-6-8(7,10)11/h2-6H,1H2.
What are the key properties of 5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene?
5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 210.15 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 18546423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).