1,2-dichloro-3-(4-fluorophenyl)benzene

C12H7Cl2F — CID 57058690

IUPAC1,2-dichloro-3-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C12H7Cl2F/c13-11-3-1-2-10(12(11)14)8-4-6-9(15)7-5-8/h1-7H
InChIKeyVXWMVEFWYNETSC-UHFFFAOYSA-N
MW241.09 g/mol
LogP4.80
Rot. Bonds1

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

1,2-dichloro-3-(4-fluorophenyl)benzene (PubChem CID 57058690) has the molecular formula C12H7Cl2F and a molecular weight of 241.09 g/mol. Its IUPAC name is 1,2-dichloro-3-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(4-fluorophenyl)benzene
PubChem CID57058690
Molecular FormulaC12H7Cl2F
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name1,2-dichloro-3-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C12H7Cl2F/c13-11-3-1-2-10(12(11)14)8-4-6-9(15)7-5-8/h1-7H
InChIKeyVXWMVEFWYNETSC-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 172733378
CID 172733378
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CID 54148188
1-chloro-3-fluoro-2-(4-fluorophenyl)benzene
CID 57094846
1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene
CID 119014852
3-(2,3-dichlorophenyl)-5-fluorophenol
CID 53219615
3-(2,3-dichlorophenyl)-5-fluoropyridine
CID 133090720
3-chloro-2-(4-fluorophenyl)aniline
CID 158778671
1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 118837736
[3-(2,3-dichlorophenyl)-5-fluorophenyl]methanamine
CID 134631435
1,3-bis(4-fluorophenyl)-2-methylbenzene
CID 58586629
4-(2,3-dichlorophenyl)-N-hydroxybenzamide
CID 10192965
1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene
CID 119017251

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(4-fluorophenyl)benzene?
The IUPAC name of 1,2-dichloro-3-(4-fluorophenyl)benzene (CID 57058690) is 1,2-dichloro-3-(4-fluorophenyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-(4-fluorophenyl)benzene?
The canonical SMILES for 1,2-dichloro-3-(4-fluorophenyl)benzene is Fc1ccc(-c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 1,2-dichloro-3-(4-fluorophenyl)benzene?
The InChIKey is VXWMVEFWYNETSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F/c13-11-3-1-2-10(12(11)14)8-4-6-9(15)7-5-8/h1-7H.
What are the key properties of 1,2-dichloro-3-(4-fluorophenyl)benzene?
1,2-dichloro-3-(4-fluorophenyl)benzene has a molecular weight of 241.09 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(4-fluorophenyl)benzene is sourced from PubChem (CID 57058690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).