1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene

C16H17F3 — CID 91513157

IUPAC1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
SMILESCc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1
InChIInChI=1S/C8H8F2.C8H9F/c1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6/h3-4H,1-2H3;3-5H,1-2H3
InChIKeyXJVVUYAXPOLWNO-UHFFFAOYSA-N
MW266.31 g/mol
LogP5.02
Rot. Bonds

About 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene

1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene (PubChem CID 91513157) has the molecular formula C16H17F3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene.

Molecular Properties

Compound Name1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
PubChem CID91513157
Molecular FormulaC16H17F3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
SMILESCc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1
InChIInChI=1S/C8H8F2.C8H9F/c1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6/h3-4H,1-2H3;3-5H,1-2H3
InChIKeyXJVVUYAXPOLWNO-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.31
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
CID 161158761
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene
CID 160856568
1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);1-fluoro-2,3,5-trimethylbenzene;1,4-xylene
CID 160791382
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)
CID 159241517
tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene)
CID 162180141
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037
CID 144806033
CID 144806033

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene?
The IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene (CID 91513157) is 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene.
What is the SMILES notation for 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene?
The canonical SMILES for 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene is Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.
What is the InChIKey of 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene?
The InChIKey is XJVVUYAXPOLWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2.C8H9F/c1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6/h3-4H,1-2H3;3-5H,1-2H3.
What are the key properties of 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene?
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene has a molecular weight of 266.31 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene is sourced from PubChem (CID 91513157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).