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

C13H6Cl4F2O — CID 118849408

IUPAC1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene
SMILESFC(F)Oc1c(Cl)cccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H6Cl4F2O/c14-8-5-4-6(10(16)11(8)17)7-2-1-3-9(15)12(7)20-13(18)19/h1-5,13H
InChIKeyQVARYMRRNYDBMV-UHFFFAOYSA-N
MW358.00 g/mol
LogP6.57
Rot. Bonds3

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

1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene (PubChem CID 118849408) has the molecular formula C13H6Cl4F2O and a molecular weight of 358.00 g/mol. Its IUPAC name is 1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene
PubChem CID118849408
Molecular FormulaC13H6Cl4F2O
Molecular Weight358.00 g/mol
Exact Mass355.91
IUPAC Name1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene
SMILESFC(F)Oc1c(Cl)cccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H6Cl4F2O/c14-8-5-4-6(10(16)11(8)17)7-2-1-3-9(15)12(7)20-13(18)19/h1-5,13H
InChIKeyQVARYMRRNYDBMV-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.00
LogP ≤ 56.57
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-[2-(difluoromethoxy)-3-fluorophenyl]benzene
CID 118826152
1,2,3-trichloro-4-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622361
3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine
CID 133088180
1,2,3-trichloro-4-[4-(difluoromethoxy)-2-fluorophenyl]benzene
CID 118812520
1,2-dichloro-3-[5-chloro-2-(difluoromethoxy)phenyl]benzene
CID 134629574
1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene
CID 119024391
1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene
CID 118822247
2-chloro-6-(2,3,4-trichlorophenyl)aniline
CID 134618448
1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 119010912
1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
CID 118847360
3-chloro-2-(difluoromethoxy)benzaldehyde
CID 112611467
2-chloro-3-(2,3,4-trichlorophenyl)aniline
CID 134624040

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene?
The IUPAC name of 1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene (CID 118849408) is 1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene is FC(F)Oc1c(Cl)cccc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene?
The InChIKey is QVARYMRRNYDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4F2O/c14-8-5-4-6(10(16)11(8)17)7-2-1-3-9(15)12(7)20-13(18)19/h1-5,13H.
What are the key properties of 1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene?
1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene has a molecular weight of 358.00 g/mol, XLogP of 6.57, 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-[3-chloro-2-(difluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118849408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).