1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene

C13H6Cl2F4 — CID 134618163

IUPAC1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
SMILESFc1ccc(C(F)(F)F)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6Cl2F4/c14-8-2-3-11(15)9(6-8)10-5-7(13(17,18)19)1-4-12(10)16/h1-6H
InChIKeyJRCOYRHUABMMKR-UHFFFAOYSA-N
MW309.09 g/mol
LogP5.82
Rot. Bonds1

About 1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene

1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene (PubChem CID 134618163) has the molecular formula C13H6Cl2F4 and a molecular weight of 309.09 g/mol. Its IUPAC name is 1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
PubChem CID134618163
Molecular FormulaC13H6Cl2F4
Molecular Weight309.09 g/mol
Exact Mass307.98
IUPAC Name1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
SMILESFc1ccc(C(F)(F)F)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6Cl2F4/c14-8-2-3-11(15)9(6-8)10-5-7(13(17,18)19)1-4-12(10)16/h1-6H
InChIKeyJRCOYRHUABMMKR-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.09
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
CID 91233147
1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine
CID 118813630
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 118826542
2-(2-chloro-5-fluorophenyl)-4-(trifluoromethyl)benzonitrile
CID 172915525
1-chloro-2-[2-ethynyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene
CID 172653758
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene
CID 58049383
6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane
CID 159897076
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene (CID 134618163) is 1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene is Fc1ccc(C(F)(F)F)cc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene?
The InChIKey is JRCOYRHUABMMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F4/c14-8-2-3-11(15)9(6-8)10-5-7(13(17,18)19)1-4-12(10)16/h1-6H.
What are the key properties of 1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene?
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene has a molecular weight of 309.09 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134618163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).