5-chloro-2-fluoro-1,3-dimethylbenzene

C8H8ClF — CID 59146238

IUPAC5-chloro-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(Cl)cc(C)c1F
InChIInChI=1S/C8H8ClF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChIKeyQMMZUEITBZKBKP-UHFFFAOYSA-N
MW158.60 g/mol
LogP3.10
Rot. Bonds

About 5-chloro-2-fluoro-1,3-dimethylbenzene

5-chloro-2-fluoro-1,3-dimethylbenzene (PubChem CID 59146238) has the molecular formula C8H8ClF and a molecular weight of 158.60 g/mol. Its IUPAC name is 5-chloro-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-chloro-2-fluoro-1,3-dimethylbenzene
PubChem CID59146238
Molecular FormulaC8H8ClF
Molecular Weight158.60 g/mol
Exact Mass158.03
IUPAC Name5-chloro-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(Cl)cc(C)c1F
InChIInChI=1S/C8H8ClF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChIKeyQMMZUEITBZKBKP-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.60
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Chlorotoluene
CID 7931
3-Chlorobenzotrifluoride
CID 7374
m-Chlorostyrene
CID 14905
Chloro-p-xylene
CID 32883
1-Chloro-3-ethylbenzene
CID 136426
2-Chloro-6-fluorotoluene
CID 9933
1,3-dichloro-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11197891
1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11209303
Benzene, 1-chloro-2,3-difluoro-5-(trifluoromethyl)-
CID 2736496
Mesityl Chloride
CID 15462
1-Chloro-2,6-dimethylbenzene
CID 32885
3,5-Dimethylchlorobenzene
CID 32887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-chloro-2-fluoro-1,3-dimethylbenzene (CID 59146238) is 5-chloro-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-chloro-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-chloro-2-fluoro-1,3-dimethylbenzene is Cc1cc(Cl)cc(C)c1F.
What is the InChIKey of 5-chloro-2-fluoro-1,3-dimethylbenzene?
The InChIKey is QMMZUEITBZKBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3.
What are the key properties of 5-chloro-2-fluoro-1,3-dimethylbenzene?
5-chloro-2-fluoro-1,3-dimethylbenzene has a molecular weight of 158.60 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 59146238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).