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

C13H6Cl3F3O — CID 118826152

IUPAC1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene
SMILESFc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1OC(F)F
InChIInChI=1S/C13H6Cl3F3O/c14-8-5-4-6(10(15)11(8)16)7-2-1-3-9(17)12(7)20-13(18)19/h1-5,13H
InChIKeyBVZVMKOFRPPABF-UHFFFAOYSA-N
MW341.54 g/mol
LogP6.05
Rot. Bonds3

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

1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene (PubChem CID 118826152) has the molecular formula C13H6Cl3F3O and a molecular weight of 341.54 g/mol. Its IUPAC name is 1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene.

Molecular Properties

Compound Name1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene
PubChem CID118826152
Molecular FormulaC13H6Cl3F3O
Molecular Weight341.54 g/mol
Exact Mass339.94
IUPAC Name1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene
SMILESFc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1OC(F)F
InChIInChI=1S/C13H6Cl3F3O/c14-8-5-4-6(10(15)11(8)16)7-2-1-3-9(17)12(7)20-13(18)19/h1-5,13H
InChIKeyBVZVMKOFRPPABF-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene
CID 118849408
1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene
CID 119024391
1,2,3-trichloro-4-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622361
1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
CID 118847360
1,2,3-trichloro-4-[4-(difluoromethoxy)-2-fluorophenyl]benzene
CID 118812520
2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene
CID 118814732
1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol
CID 159028875
3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine
CID 133088180
1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene
CID 130836038
1,2-dichloro-3-[5-chloro-2-(difluoromethoxy)phenyl]benzene
CID 134629574
2-chloro-6-(2,3,4-trichlorophenyl)aniline
CID 134618448
1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene
CID 134631155

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene?
The IUPAC name of 1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene (CID 118826152) is 1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene.
What is the SMILES notation for 1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene?
The canonical SMILES for 1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene is Fc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1OC(F)F.
What is the InChIKey of 1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene?
The InChIKey is BVZVMKOFRPPABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3F3O/c14-8-5-4-6(10(15)11(8)16)7-2-1-3-9(17)12(7)20-13(18)19/h1-5,13H.
What are the key properties of 1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene?
1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene has a molecular weight of 341.54 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene is sourced from PubChem (CID 118826152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).