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

C13H7Cl2F3 — CID 119017251

IUPAC1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene
SMILESFc1ccc(-c2cccc(Cl)c2Cl)c(C(F)F)c1
InChIInChI=1S/C13H7Cl2F3/c14-11-3-1-2-9(12(11)15)8-5-4-7(16)6-10(8)13(17)18/h1-6,13H
InChIKeyXSAXEFFJXJYTRK-UHFFFAOYSA-N
MW291.10 g/mol
LogP5.74
Rot. Bonds2

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

1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene (PubChem CID 119017251) has the molecular formula C13H7Cl2F3 and a molecular weight of 291.10 g/mol. Its IUPAC name is 1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene
PubChem CID119017251
Molecular FormulaC13H7Cl2F3
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC Name1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene
SMILESFc1ccc(-c2cccc(Cl)c2Cl)c(C(F)F)c1
InChIInChI=1S/C13H7Cl2F3/c14-11-3-1-2-9(12(11)15)8-5-4-7(16)6-10(8)13(17)18/h1-6,13H
InChIKeyXSAXEFFJXJYTRK-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.10
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-trichloro-4-[2-(difluoromethyl)-4-fluorophenyl]benzene
CID 118854340
2-[2-(2,3-dichlorophenyl)-5-fluorophenyl]-2-hydroxyacetic acid
CID 134633770
1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 118837736
1,2-dichloro-3-(4-fluorophenyl)benzene
CID 57058690
4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine
CID 133091201
1,2,4-trichloro-3-[3-(difluoromethyl)-2-fluorophenyl]benzene
CID 134622465
3-(2,3-dichlorophenyl)-2,5-difluoropyridine
CID 133090714
1,2,5-trichloro-3-[2-chloro-6-(difluoromethyl)phenyl]benzene
CID 134617250
ethyl 2-(2,3-dichlorophenyl)-5-fluorobenzoate
CID 118809533
methyl 2-(2,3-dichlorophenyl)-4-fluorobenzoate
CID 134617679
1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene
CID 172767325
(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol
CID 115793021

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene?
The IUPAC name of 1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene (CID 119017251) is 1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene is Fc1ccc(-c2cccc(Cl)c2Cl)c(C(F)F)c1.
What is the InChIKey of 1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene?
The InChIKey is XSAXEFFJXJYTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3/c14-11-3-1-2-9(12(11)15)8-5-4-7(16)6-10(8)13(17)18/h1-6,13H.
What are the key properties of 1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene?
1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene has a molecular weight of 291.10 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene is sourced from PubChem (CID 119017251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).