1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene

C16H18F2 — CID 143291737

IUPAC1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene
SMILESCc1cc(F)ccc1F.Cc1ccc(C)c(C)c1
InChIInChI=1S/C9H12.C7H6F2/c1-7-4-5-8(2)9(3)6-7;1-5-4-6(8)2-3-7(5)9/h4-6H,1-3H3;2-4H,1H3
InChIKeyGUJDQCWQRMXOON-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.89
Rot. Bonds

About 1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene

1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene (PubChem CID 143291737) has the molecular formula C16H18F2 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene.

Molecular Properties

Compound Name1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene
PubChem CID143291737
Molecular FormulaC16H18F2
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene
SMILESCc1cc(F)ccc1F.Cc1ccc(C)c(C)c1
InChIInChI=1S/C9H12.C7H6F2/c1-7-4-5-8(2)9(3)6-7;1-5-4-6(8)2-3-7(5)9/h4-6H,1-3H3;2-4H,1H3
InChIKeyGUJDQCWQRMXOON-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
CID 143200247
1,2,4-trimethylbenzene
CID 7247
4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene
CID 143759785
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
ethane;1-fluoro-2,4-dimethylbenzene;formamide
CID 143812517
formonitrile;1,2,4-trimethylbenzene
CID 90728107
bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene
CID 143106792
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene?
The IUPAC name of 1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene (CID 143291737) is 1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene.
What is the SMILES notation for 1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene?
The canonical SMILES for 1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene is Cc1cc(F)ccc1F.Cc1ccc(C)c(C)c1.
What is the InChIKey of 1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene?
The InChIKey is GUJDQCWQRMXOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C7H6F2/c1-7-4-5-8(2)9(3)6-7;1-5-4-6(8)2-3-7(5)9/h4-6H,1-3H3;2-4H,1H3.
What are the key properties of 1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene?
1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene has a molecular weight of 248.32 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene is sourced from PubChem (CID 143291737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).