2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene

C15H16F2 — CID 159574523

IUPAC2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
SMILESCc1ccc(C)c(F)c1.Cc1ccc(F)cc1
InChIInChI=1S/C8H9F.C7H7F/c1-6-3-4-7(2)8(9)5-6;1-6-2-4-7(8)5-3-6/h3-5H,1-2H3;2-5H,1H3
InChIKeyMIFQPYVARJTRRA-UHFFFAOYSA-N
MW234.29 g/mol
LogP4.58
Rot. Bonds

About 2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene

2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene (PubChem CID 159574523) has the molecular formula C15H16F2 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
PubChem CID159574523
Molecular FormulaC15H16F2
Molecular Weight234.29 g/mol
Exact Mass234.12
IUPAC Name2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
SMILESCc1ccc(C)c(F)c1.Cc1ccc(F)cc1
InChIInChI=1S/C8H9F.C7H7F/c1-6-3-4-7(2)8(9)5-6;1-6-2-4-7(8)5-3-6/h3-5H,1-2H3;2-5H,1H3
InChIKeyMIFQPYVARJTRRA-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
CID 161158761
ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 159175057
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
2,4-difluoro-1-methylbenzene;hydrobromide
CID 174767043
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene?
The IUPAC name of 2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene (CID 159574523) is 2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene?
The canonical SMILES for 2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene is Cc1ccc(C)c(F)c1.Cc1ccc(F)cc1.
What is the InChIKey of 2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene?
The InChIKey is MIFQPYVARJTRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C7H7F/c1-6-3-4-7(2)8(9)5-6;1-6-2-4-7(8)5-3-6/h3-5H,1-2H3;2-5H,1H3.
What are the key properties of 2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene?
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene has a molecular weight of 234.29 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene is sourced from PubChem (CID 159574523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).