6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene

C9H8ClF3 — CID 166942471

IUPAC6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESC=CC1=CC(Cl)C(C(F)(F)F)C=C1
InChIInChI=1S/C9H8ClF3/c1-2-6-3-4-7(8(10)5-6)9(11,12)13/h2-5,7-8H,1H2
InChIKeyVISLGGMGYSKNGS-UHFFFAOYSA-N
MW208.61 g/mol
LogP3.45
Rot. Bonds1

About 6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene

6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 166942471) has the molecular formula C9H8ClF3 and a molecular weight of 208.61 g/mol. Its IUPAC name is 6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID166942471
Molecular FormulaC9H8ClF3
Molecular Weight208.61 g/mol
Exact Mass208.03
IUPAC Name6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESC=CC1=CC(Cl)C(C(F)(F)F)C=C1
InChIInChI=1S/C9H8ClF3/c1-2-6-3-4-7(8(10)5-6)9(11,12)13/h2-5,7-8H,1H2
InChIKeyVISLGGMGYSKNGS-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.61
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 18457038
5,6-Dichloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 20570461
6-[(E)-3-chloroprop-2-enyl]-1,6-difluorocyclohexa-1,3-diene
CID 21113197
5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene
CID 21113198
5-Chloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22498002
1-Chloro-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 23123762
2-Chloro-5-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 67518524
5,6-Dichloro-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 67727418
5-Chloro-3-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 68102316
6-Chloro-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 69024764
6-Chloro-6-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 70484837
1,5,6-Trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene
CID 88693682

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene (CID 166942471) is 6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene is C=CC1=CC(Cl)C(C(F)(F)F)C=C1.
What is the InChIKey of 6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is VISLGGMGYSKNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3/c1-2-6-3-4-7(8(10)5-6)9(11,12)13/h2-5,7-8H,1H2.
What are the key properties of 6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene?
6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 208.61 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethenyl-5-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 166942471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).