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

C17H18F4 — CID 153368730

IUPAC1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene
SMILESCc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1C
InChIInChI=1S/C9H10F2.C8H8F2/c1-5-4-8(10)7(3)9(11)6(5)2;1-5-3-7(9)6(2)8(10)4-5/h4H,1-3H3;3-4H,1-2H3
InChIKeyGQGHSLAZJIPTLU-UHFFFAOYSA-N
MW298.32 g/mol
LogP5.47
Rot. Bonds

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

1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene (PubChem CID 153368730) has the molecular formula C17H18F4 and a molecular weight of 298.32 g/mol. Its IUPAC name is 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene
PubChem CID153368730
Molecular FormulaC17H18F4
Molecular Weight298.32 g/mol
Exact Mass298.13
IUPAC Name1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene
SMILESCc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1C
InChIInChI=1S/C9H10F2.C8H8F2/c1-5-4-8(10)7(3)9(11)6(5)2;1-5-3-7(9)6(2)8(10)4-5/h4H,1-3H3;3-4H,1-2H3
InChIKeyGQGHSLAZJIPTLU-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.32
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 144806033
CID 144806033
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-fluoro-1,4-dimethylbenzene
CID 91513157
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
1,3-difluoro-2,5-dimethylbenzene;hexane
CID 144528127
ethane;3-fluoro-2,5-dimethylphenol
CID 142108626
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
CID 161158761
3-fluoro-2,5-dimethylaniline
CID 55289526
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
3,5-difluoro-2,4-dimethylbenzenethiol
CID 175617271
1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
CID 58029447
1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene
CID 131118392

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene?
The IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene (CID 153368730) is 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene.
What is the SMILES notation for 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene?
The canonical SMILES for 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene is Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1C.
What is the InChIKey of 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene?
The InChIKey is GQGHSLAZJIPTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.C8H8F2/c1-5-4-8(10)7(3)9(11)6(5)2;1-5-3-7(9)6(2)8(10)4-5/h4H,1-3H3;3-4H,1-2H3.
What are the key properties of 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene?
1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene has a molecular weight of 298.32 g/mol, XLogP of 5.47, 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;1,3-difluoro-2,4,5-trimethylbenzene is sourced from PubChem (CID 153368730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).