1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene

C13H9F3 — CID 134627237

IUPAC1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
SMILESCc1cc(-c2cccc(F)c2F)ccc1F
InChIInChI=1S/C13H9F3/c1-8-7-9(5-6-11(8)14)10-3-2-4-12(15)13(10)16/h2-7H,1H3
InChIKeyCYPMYTBEBWKHFK-UHFFFAOYSA-N
MW222.21 g/mol
LogP4.08
Rot. Bonds1

About 1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene

1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene (PubChem CID 134627237) has the molecular formula C13H9F3 and a molecular weight of 222.21 g/mol. Its IUPAC name is 1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
PubChem CID134627237
Molecular FormulaC13H9F3
Molecular Weight222.21 g/mol
Exact Mass222.07
IUPAC Name1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
SMILESCc1cc(-c2cccc(F)c2F)ccc1F
InChIInChI=1S/C13H9F3/c1-8-7-9(5-6-11(8)14)10-3-2-4-12(15)13(10)16/h2-7H,1H3
InChIKeyCYPMYTBEBWKHFK-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene
CID 134625893
5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline
CID 134631671
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
2-fluoro-6-(4-fluoro-3-methylphenyl)benzonitrile
CID 114898472
5-(2,3-difluorophenyl)-2-fluorobenzaldehyde
CID 63988586
2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol
CID 19094777
2-(4-fluoro-3-methylphenyl)benzaldehyde
CID 61025610
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
CID 134620923
methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149
3-(2,3-difluorophenyl)aniline
CID 63987316
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene?
The IUPAC name of 1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene (CID 134627237) is 1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene?
The canonical SMILES for 1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene is Cc1cc(-c2cccc(F)c2F)ccc1F.
What is the InChIKey of 1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene?
The InChIKey is CYPMYTBEBWKHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3/c1-8-7-9(5-6-11(8)14)10-3-2-4-12(15)13(10)16/h2-7H,1H3.
What are the key properties of 1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene?
1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene has a molecular weight of 222.21 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene is sourced from PubChem (CID 134627237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).