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

C18H24F2 — CID 143200247

IUPAC1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
SMILESCC.Cc1ccc(C)c(C)c1.Cc1ccc(F)c(F)c1
InChIInChI=1S/C9H12.C7H6F2.C2H6/c1-7-4-5-8(2)9(3)6-7;1-5-2-3-6(8)7(9)4-5;1-2/h4-6H,1-3H3;2-4H,1H3;1-2H3
InChIKeyDNSILLLHOHFWTJ-UHFFFAOYSA-N
MW278.39 g/mol
LogP5.91
Rot. Bonds

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

1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene (PubChem CID 143200247) has the molecular formula C18H24F2 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene.

Molecular Properties

Compound Name1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
PubChem CID143200247
Molecular FormulaC18H24F2
Molecular Weight278.39 g/mol
Exact Mass278.18
IUPAC Name1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
SMILESCC.Cc1ccc(C)c(C)c1.Cc1ccc(F)c(F)c1
InChIInChI=1S/C9H12.C7H6F2.C2H6/c1-7-4-5-8(2)9(3)6-7;1-5-2-3-6(8)7(9)4-5;1-2/h4-6H,1-3H3;2-4H,1H3;1-2H3
InChIKeyDNSILLLHOHFWTJ-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
1,2,4-trimethylbenzene
CID 7247
1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 143291737
1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene
CID 144581730
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene?
The IUPAC name of 1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene (CID 143200247) is 1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene.
What is the SMILES notation for 1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene?
The canonical SMILES for 1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene is CC.Cc1ccc(C)c(C)c1.Cc1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene?
The InChIKey is DNSILLLHOHFWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C7H6F2.C2H6/c1-7-4-5-8(2)9(3)6-7;1-5-2-3-6(8)7(9)4-5;1-2/h4-6H,1-3H3;2-4H,1H3;1-2H3.
What are the key properties of 1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene?
1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene has a molecular weight of 278.39 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene is sourced from PubChem (CID 143200247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).