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

C13H7Cl2F3O — CID 119008887

IUPAC2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene
SMILESFc1ccc(-c2ccc(Cl)cc2Cl)c(OC(F)F)c1
InChIInChI=1S/C13H7Cl2F3O/c14-7-1-3-9(11(15)5-7)10-4-2-8(16)6-12(10)19-13(17)18/h1-6,13H
InChIKeyIUSHSKDWCOUGRY-UHFFFAOYSA-N
MW307.10 g/mol
LogP5.40
Rot. Bonds3

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

2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene (PubChem CID 119008887) has the molecular formula C13H7Cl2F3O and a molecular weight of 307.10 g/mol. Its IUPAC name is 2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene
PubChem CID119008887
Molecular FormulaC13H7Cl2F3O
Molecular Weight307.10 g/mol
Exact Mass305.98
IUPAC Name2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene
SMILESFc1ccc(-c2ccc(Cl)cc2Cl)c(OC(F)F)c1
InChIInChI=1S/C13H7Cl2F3O/c14-7-1-3-9(11(15)5-7)10-4-2-8(16)6-12(10)19-13(17)18/h1-6,13H
InChIKeyIUSHSKDWCOUGRY-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.10
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene?
The IUPAC name of 2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene (CID 119008887) is 2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene is Fc1ccc(-c2ccc(Cl)cc2Cl)c(OC(F)F)c1.
What is the InChIKey of 2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene?
The InChIKey is IUSHSKDWCOUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3O/c14-7-1-3-9(11(15)5-7)10-4-2-8(16)6-12(10)19-13(17)18/h1-6,13H.
What are the key properties of 2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene?
2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene has a molecular weight of 307.10 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene is sourced from PubChem (CID 119008887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).