1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene

C18H8Cl2F4 — CID 141040222

IUPAC1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene
SMILESFc1cccc(-c2c(F)ccc(-c3cccc(Cl)c3Cl)c2F)c1F
InChIInChI=1S/C18H8Cl2F4/c19-12-5-1-3-9(16(12)20)10-7-8-13(21)15(18(10)24)11-4-2-6-14(22)17(11)23/h1-8H
InChIKeyDRTUBQAPWREJKK-UHFFFAOYSA-N
MW371.16 g/mol
LogP6.88
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene

1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene (PubChem CID 141040222) has the molecular formula C18H8Cl2F4 and a molecular weight of 371.16 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene
PubChem CID141040222
Molecular FormulaC18H8Cl2F4
Molecular Weight371.16 g/mol
Exact Mass369.99
IUPAC Name1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene
SMILESFc1cccc(-c2c(F)ccc(-c3cccc(Cl)c3Cl)c2F)c1F
InChIInChI=1S/C18H8Cl2F4/c19-12-5-1-3-9(16(12)20)10-7-8-13(21)15(18(10)24)11-4-2-6-14(22)17(11)23/h1-8H
InChIKeyDRTUBQAPWREJKK-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.16
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
1-chloro-2,3-difluorobenzene
CID 157449386
1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
CID 134620923
2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride
CID 134617653
2-(2,3-dichlorophenyl)-3-fluoropyridine
CID 118819260
2-chloro-4-(2,3-difluorophenyl)-3-fluoropyridine
CID 119022782
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118822699
2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine
CID 133089036
1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene
CID 118329291
1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene
CID 67429755

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene (CID 141040222) is 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene is Fc1cccc(-c2c(F)ccc(-c3cccc(Cl)c3Cl)c2F)c1F.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene?
The InChIKey is DRTUBQAPWREJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl2F4/c19-12-5-1-3-9(16(12)20)10-7-8-13(21)15(18(10)24)11-4-2-6-14(22)17(11)23/h1-8H.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene?
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene has a molecular weight of 371.16 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene is sourced from PubChem (CID 141040222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).