1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene

C13H9Cl2F — CID 118990356

IUPAC1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
SMILESCc1ccc(F)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2F/c1-8-2-4-10(16)7-11(8)12-6-9(14)3-5-13(12)15/h2-7H,1H3
InChIKeyYJLQVGONCWAIQA-UHFFFAOYSA-N
MW255.12 g/mol
LogP5.11
Rot. Bonds1

About 1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene

1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene (PubChem CID 118990356) has the molecular formula C13H9Cl2F and a molecular weight of 255.12 g/mol. Its IUPAC name is 1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
PubChem CID118990356
Molecular FormulaC13H9Cl2F
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
SMILESCc1ccc(F)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2F/c1-8-2-4-10(16)7-11(8)12-6-9(14)3-5-13(12)15/h2-7H,1H3
InChIKeyYJLQVGONCWAIQA-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.12
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
5-chloro-2-(5-fluoro-2-methylphenyl)aniline
CID 81274733
3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
CID 105408282
N-[[4-chloro-2-(2-chloro-5-fluorophenyl)phenyl]methyl]propan-1-amine
CID 105395768
1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 66159508
4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene
CID 143759785
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
CID 165449932
[2-(2,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729171
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
N-[[5-chloro-2-(2-chloro-5-fluorophenyl)phenyl]methyl]propan-1-amine
CID 105395708
3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one
CID 141334267

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene?
The IUPAC name of 1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene (CID 118990356) is 1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene is Cc1ccc(F)cc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene?
The InChIKey is YJLQVGONCWAIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F/c1-8-2-4-10(16)7-11(8)12-6-9(14)3-5-13(12)15/h2-7H,1H3.
What are the key properties of 1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene?
1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene has a molecular weight of 255.12 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene is sourced from PubChem (CID 118990356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).