1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene

C8H4Cl2F6 — CID 22498003

IUPAC1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CC(Cl)=C(Cl)C(C(F)(F)F)C1
InChIInChI=1S/C8H4Cl2F6/c9-5-2-3(7(11,12)13)1-4(6(5)10)8(14,15)16/h2,4H,1H2
InChIKeyQQODRHLDKGQGAA-UHFFFAOYSA-N
MW285.01 g/mol
LogP4.75
Rot. Bonds

About 1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene

1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 22498003) has the molecular formula C8H4Cl2F6 and a molecular weight of 285.01 g/mol. Its IUPAC name is 1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID22498003
Molecular FormulaC8H4Cl2F6
Molecular Weight285.01 g/mol
Exact Mass283.96
IUPAC Name1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CC(Cl)=C(Cl)C(C(F)(F)F)C1
InChIInChI=1S/C8H4Cl2F6/c9-5-2-3(7(11,12)13)1-4(6(5)10)8(14,15)16/h2,4H,1H2
InChIKeyQQODRHLDKGQGAA-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.01
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-dichloro-4,6-bis(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

2,4-Dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 137797114
5-Chloro-4,5-difluoro-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 19800492
3,5-Dichloro-5,6-difluoro-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 21612789
1-Chloro-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 23123762
(5S)-3-chloro-5-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 68330585
5,5-Dichloro-6-(1,1,2-trifluoroethyl)cyclohexa-1,3-diene
CID 70400851
1-Chloro-3-(1,1-difluoroethyl)-6-propan-2-ylcyclohexa-1,3-diene
CID 70841603
5-(1,1-Dichloro-2,2,2-trifluoroethyl)-2,5,6-trifluorocyclohexa-1,3-diene
CID 88178187
2,4,5-Trichloro-1,3,5-tris(trifluoromethyl)cyclohexa-1,3-diene
CID 88805328
3-(Chloromethyl)-1,6-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 89127657
3-Chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 90951388
1,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene
CID 123892654

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene (CID 22498003) is 1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene is FC(F)(F)C1=CC(Cl)=C(Cl)C(C(F)(F)F)C1.
What is the InChIKey of 1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is QQODRHLDKGQGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F6/c9-5-2-3(7(11,12)13)1-4(6(5)10)8(14,15)16/h2,4H,1H2.
What are the key properties of 1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene?
1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 285.01 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4,6-bis(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 22498003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).