2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene

C13H6Cl2F4 — CID 119002759

IUPAC2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene
SMILESFc1cccc(-c2ccc(Cl)cc2Cl)c1C(F)(F)F
InChIInChI=1S/C13H6Cl2F4/c14-7-4-5-8(10(15)6-7)9-2-1-3-11(16)12(9)13(17,18)19/h1-6H
InChIKeyNCXTYPJPTLJCAD-UHFFFAOYSA-N
MW309.09 g/mol
LogP5.82
Rot. Bonds1

About 2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene

2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene (PubChem CID 119002759) has the molecular formula C13H6Cl2F4 and a molecular weight of 309.09 g/mol. Its IUPAC name is 2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene
PubChem CID119002759
Molecular FormulaC13H6Cl2F4
Molecular Weight309.09 g/mol
Exact Mass307.98
IUPAC Name2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene
SMILESFc1cccc(-c2ccc(Cl)cc2Cl)c1C(F)(F)F
InChIInChI=1S/C13H6Cl2F4/c14-7-4-5-8(10(15)6-7)9-2-1-3-11(16)12(9)13(17,18)19/h1-6H
InChIKeyNCXTYPJPTLJCAD-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

2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene
CID 119002255
1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene
CID 46314542
2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 119006979
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118822699
2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
CID 118818713
4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene
CID 70978710
methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
CID 119010018
1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene
CID 87132291
3-(2,4-dichlorophenyl)-2-fluorobenzonitrile
CID 134617900
2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625949
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
CID 134617901

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene (CID 119002759) is 2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene is Fc1cccc(-c2ccc(Cl)cc2Cl)c1C(F)(F)F.
What is the InChIKey of 2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene?
The InChIKey is NCXTYPJPTLJCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F4/c14-7-4-5-8(10(15)6-7)9-2-1-3-11(16)12(9)13(17,18)19/h1-6H.
What are the key properties of 2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene?
2,4-dichloro-1-[3-fluoro-2-(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 2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 119002759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).