1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene

C18H25F3 — CID 144581730

IUPAC1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene
SMILESCC.CC.Cc1ccc(F)c(F)c1.Cc1cccc(F)c1
InChIInChI=1S/C7H6F2.C7H7F.2C2H6/c1-5-2-3-6(8)7(9)4-5;1-6-3-2-4-7(8)5-6;2*1-2/h2-4H,1H3;2-5H,1H3;2*1-2H3
InChIKeyIGGLXHOFJPBBOC-UHFFFAOYSA-N
MW298.39 g/mol
LogP6.46
Rot. Bonds

About 1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene

1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene (PubChem CID 144581730) has the molecular formula C18H25F3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene
PubChem CID144581730
Molecular FormulaC18H25F3
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene
SMILESCC.CC.Cc1ccc(F)c(F)c1.Cc1cccc(F)c1
InChIInChI=1S/C7H6F2.C7H7F.2C2H6/c1-5-2-3-6(8)7(9)4-5;1-6-3-2-4-7(8)5-6;2*1-2/h2-4H,1H3;2-5H,1H3;2*1-2H3
InChIKeyIGGLXHOFJPBBOC-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-fluoro-3-methylbenzene
CID 123790085
2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene
CID 143200692
sodium;1-fluoro-3-methylbenzene;hydride
CID 174603883
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene
CID 143240223
ethane;1-fluoro-3-methylbenzene;tetrachloromethane
CID 91543294
1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
CID 143200247
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;toluene
CID 160743052
ethane;1,3-xylene;1,4-xylene
CID 145425556
1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
CID 143126796
ethane;1,3-xylene
CID 54570178

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene?
The IUPAC name of 1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene (CID 144581730) is 1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene.
What is the SMILES notation for 1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene?
The canonical SMILES for 1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene is CC.CC.Cc1ccc(F)c(F)c1.Cc1cccc(F)c1.
What is the InChIKey of 1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene?
The InChIKey is IGGLXHOFJPBBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2.C7H7F.2C2H6/c1-5-2-3-6(8)7(9)4-5;1-6-3-2-4-7(8)5-6;2*1-2/h2-4H,1H3;2-5H,1H3;2*1-2H3.
What are the key properties of 1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene?
1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene has a molecular weight of 298.39 g/mol, XLogP of 6.46, 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-fluoro-3-methylbenzene is sourced from PubChem (CID 144581730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).