1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene

C9H8Cl3F3 — CID 88693682

IUPAC1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene
SMILESFCC1=CC(Cl)C(Cl)(CF)C(Cl)=C1CF
InChIInChI=1S/C9H8Cl3F3/c10-7-1-5(2-13)6(3-14)8(11)9(7,12)4-15/h1,7H,2-4H2
InChIKeyBHRSRFMBNJIBRV-UHFFFAOYSA-N
MW279.52 g/mol
LogP3.91
Rot. Bonds3

About 1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene

1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene (PubChem CID 88693682) has the molecular formula C9H8Cl3F3 and a molecular weight of 279.52 g/mol. Its IUPAC name is 1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene
PubChem CID88693682
Molecular FormulaC9H8Cl3F3
Molecular Weight279.52 g/mol
Exact Mass277.96
IUPAC Name1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene
SMILESFCC1=CC(Cl)C(Cl)(CF)C(Cl)=C1CF
InChIInChI=1S/C9H8Cl3F3/c10-7-1-5(2-13)6(3-14)8(11)9(7,12)4-15/h1,7H,2-4H2
InChIKeyBHRSRFMBNJIBRV-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 53.91
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

5,6-Dichloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 20570461
1,5-Dichloro-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21290733
5,6-Dichloro-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 67727418
5-Chloro-3-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 68102316
1-(2-Chloro-ethyl)-4-fluorophenyl hydrochloride
CID 86673105
5-Chloro-3-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 89326596
1,6-Dichloro-5-ethyl-3-fluorocyclohexa-1,3-diene
CID 91129018
6-Chloro-1-fluoro-3,5-dimethylcyclohexa-1,3-diene
CID 91290378
1,5-Dichloro-4-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 126663787
5-Chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene
CID 132196980
1,5-Dichloro-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 141973026
1,5,6-Trichloro-6-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene
CID 151004045

Frequently Asked Questions

What is the IUPAC name of 1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene (CID 88693682) is 1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene is FCC1=CC(Cl)C(Cl)(CF)C(Cl)=C1CF.
What is the InChIKey of 1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene?
The InChIKey is BHRSRFMBNJIBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3F3/c10-7-1-5(2-13)6(3-14)8(11)9(7,12)4-15/h1,7H,2-4H2.
What are the key properties of 1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene?
1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene has a molecular weight of 279.52 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trichloro-2,3,6-tris(fluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 88693682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).