1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene

C13H7Cl3F2O — CID 118822247

IUPAC1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene
SMILESFC(F)Oc1cc(-c2cccc(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3F2O/c14-9-5-4-7(6-11(9)19-13(17)18)8-2-1-3-10(15)12(8)16/h1-6,13H
InChIKeyUPRRPHLANRMISZ-UHFFFAOYSA-N
MW323.55 g/mol
LogP5.92
Rot. Bonds3

About 1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene

1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene (PubChem CID 118822247) has the molecular formula C13H7Cl3F2O and a molecular weight of 323.55 g/mol. Its IUPAC name is 1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene
PubChem CID118822247
Molecular FormulaC13H7Cl3F2O
Molecular Weight323.55 g/mol
Exact Mass321.95
IUPAC Name1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene
SMILESFC(F)Oc1cc(-c2cccc(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3F2O/c14-9-5-4-7(6-11(9)19-13(17)18)8-2-1-3-10(15)12(8)16/h1-6,13H
InChIKeyUPRRPHLANRMISZ-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.55
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-3-[5-chloro-2-(difluoromethoxy)phenyl]benzene
CID 134629574
1,2,3-trichloro-4-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622361
1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 119010912
4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine
CID 46317964
1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 118837736
1,3,5-trichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622379
2-(2,3-dichlorophenyl)-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine
CID 118830631
4-(2,3-dichlorophenyl)-2-methoxyaniline
CID 164513718
1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene
CID 118849408
1,2-dichloro-3-(4-fluorophenyl)benzene
CID 57058690
3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine
CID 133088180
1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene
CID 119002522

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene?
The IUPAC name of 1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene (CID 118822247) is 1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene is FC(F)Oc1cc(-c2cccc(Cl)c2Cl)ccc1Cl.
What is the InChIKey of 1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene?
The InChIKey is UPRRPHLANRMISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F2O/c14-9-5-4-7(6-11(9)19-13(17)18)8-2-1-3-10(15)12(8)16/h1-6,13H.
What are the key properties of 1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene?
1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene has a molecular weight of 323.55 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118822247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).