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

C13H7Cl2F3O — CID 118996198

IUPAC1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl2F3O/c14-10-6-3-5-9(12(10)15)8-4-1-2-7-11(8)19-13(16,17)18/h1-7H
InChIKeyYNYKSWWJVABTRJ-UHFFFAOYSA-N
MW307.10 g/mol
LogP5.56
Rot. Bonds2

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

1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene (PubChem CID 118996198) has the molecular formula C13H7Cl2F3O and a molecular weight of 307.10 g/mol. Its IUPAC name is 1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
PubChem CID118996198
Molecular FormulaC13H7Cl2F3O
Molecular Weight307.10 g/mol
Exact Mass305.98
IUPAC Name1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl2F3O/c14-10-6-3-5-9(12(10)15)8-4-1-2-7-11(8)19-13(16,17)18/h1-7H
InChIKeyYNYKSWWJVABTRJ-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.10
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1,2,4-trichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118848876
2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 119003076
2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119022722
3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 133088932
1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene
CID 118809524
2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993965
1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999624
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
CID 119017007
1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene (CID 118996198) is 1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene is FC(F)(F)Oc1ccccc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is YNYKSWWJVABTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3O/c14-10-6-3-5-9(12(10)15)8-4-1-2-7-11(8)19-13(16,17)18/h1-7H.
What are the key properties of 1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene?
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene has a molecular weight of 307.10 g/mol, XLogP of 5.56, 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-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118996198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).