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

C13H8Cl2F2O — CID 119002522

IUPAC1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene
SMILESFC(F)Oc1ccccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl2F2O/c14-8-5-6-11(15)10(7-8)9-3-1-2-4-12(9)18-13(16)17/h1-7,13H
InChIKeyGDDGDSNZVVAKHX-UHFFFAOYSA-N
MW289.11 g/mol
LogP5.26
Rot. Bonds3

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

1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene (PubChem CID 119002522) has the molecular formula C13H8Cl2F2O and a molecular weight of 289.11 g/mol. Its IUPAC name is 1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene
PubChem CID119002522
Molecular FormulaC13H8Cl2F2O
Molecular Weight289.11 g/mol
Exact Mass287.99
IUPAC Name1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene
SMILESFC(F)Oc1ccccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl2F2O/c14-8-5-6-11(15)10(7-8)9-3-1-2-4-12(9)18-13(16)17/h1-7,13H
InChIKeyGDDGDSNZVVAKHX-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.11
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene?
The IUPAC name of 1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene (CID 119002522) is 1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene is FC(F)Oc1ccccc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene?
The InChIKey is GDDGDSNZVVAKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2O/c14-8-5-6-11(15)10(7-8)9-3-1-2-4-12(9)18-13(16)17/h1-7,13H.
What are the key properties of 1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene?
1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene has a molecular weight of 289.11 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene is sourced from PubChem (CID 119002522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).