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

C13H7Cl2F3O — CID 119024391

IUPAC1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene
SMILESFc1cccc(-c2cc(Cl)ccc2Cl)c1OC(F)F
InChIInChI=1S/C13H7Cl2F3O/c14-7-4-5-10(15)9(6-7)8-2-1-3-11(16)12(8)19-13(17)18/h1-6,13H
InChIKeyWQNOULFSQWKSQF-UHFFFAOYSA-N
MW307.10 g/mol
LogP5.40
Rot. Bonds3

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

1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene (PubChem CID 119024391) has the molecular formula C13H7Cl2F3O and a molecular weight of 307.10 g/mol. Its IUPAC name is 1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene
PubChem CID119024391
Molecular FormulaC13H7Cl2F3O
Molecular Weight307.10 g/mol
Exact Mass305.98
IUPAC Name1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene
SMILESFc1cccc(-c2cc(Cl)ccc2Cl)c1OC(F)F
InChIInChI=1S/C13H7Cl2F3O/c14-7-4-5-10(15)9(6-7)8-2-1-3-11(16)12(8)19-13(17)18/h1-6,13H
InChIKeyWQNOULFSQWKSQF-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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Related Compounds

1-(2,5-dichlorophenyl)-5-fluoronaphthalene
CID 118818793
1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene
CID 118826152
1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene
CID 119002522
1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol
CID 159028875
2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene
CID 118814732
1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene
CID 130836038
1,2-dichloro-3-[5-chloro-2-(difluoromethoxy)phenyl]benzene
CID 134629574
3-(2,5-dichlorophenyl)-2-fluorophenol
CID 119000242
1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene
CID 118849408
[2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol
CID 118841232
1,3,5-trichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622379
2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene
CID 119008887

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene?
The IUPAC name of 1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene (CID 119024391) is 1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene is Fc1cccc(-c2cc(Cl)ccc2Cl)c1OC(F)F.
What is the InChIKey of 1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene?
The InChIKey is WQNOULFSQWKSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3O/c14-7-4-5-10(15)9(6-7)8-2-1-3-11(16)12(8)19-13(17)18/h1-6,13H.
What are the key properties of 1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene?
1,4-dichloro-2-[2-(difluoromethoxy)-3-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 1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene is sourced from PubChem (CID 119024391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).