1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene

C13H6Cl2F4O — CID 118809524

IUPAC1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene
SMILESFc1ccc(OC(F)(F)F)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H6Cl2F4O/c14-10-3-1-2-8(12(10)15)9-6-7(4-5-11(9)16)20-13(17,18)19/h1-6H
InChIKeyYKRWPIJDZNCJHD-UHFFFAOYSA-N
MW325.09 g/mol
LogP5.70
Rot. Bonds2

About 1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene

1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene (PubChem CID 118809524) has the molecular formula C13H6Cl2F4O and a molecular weight of 325.09 g/mol. Its IUPAC name is 1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene
PubChem CID118809524
Molecular FormulaC13H6Cl2F4O
Molecular Weight325.09 g/mol
Exact Mass323.97
IUPAC Name1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene
SMILESFc1ccc(OC(F)(F)F)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H6Cl2F4O/c14-10-3-1-2-8(12(10)15)9-6-7(4-5-11(9)16)20-13(17,18)19/h1-6H
InChIKeyYKRWPIJDZNCJHD-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.09
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene 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-(2,3-dichlorophenyl)-4-(trifluoromethoxy)benzonitrile
CID 172989669
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
2-(3-chloro-2-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 172676629
1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene
CID 134629417
[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
CID 54912158
1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134629579
2-[2-fluoro-5-(trifluoromethoxy)phenyl]furan
CID 168524951
1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119003676
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
2-chloro-5-(trifluoromethoxy)benzenethiol
CID 170997751
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3967064

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene (CID 118809524) is 1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene is Fc1ccc(OC(F)(F)F)cc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene?
The InChIKey is YKRWPIJDZNCJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F4O/c14-10-3-1-2-8(12(10)15)9-6-7(4-5-11(9)16)20-13(17,18)19/h1-6H.
What are the key properties of 1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene?
1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene has a molecular weight of 325.09 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118809524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).