1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene

C13H9F3 — CID 134620923

IUPAC1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
SMILESCc1cccc(F)c1-c1cccc(F)c1F
InChIInChI=1S/C13H9F3/c1-8-4-2-6-10(14)12(8)9-5-3-7-11(15)13(9)16/h2-7H,1H3
InChIKeyGEMVVRZXBXJKQV-UHFFFAOYSA-N
MW222.21 g/mol
LogP4.08
Rot. Bonds1

About 1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene

1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene (PubChem CID 134620923) has the molecular formula C13H9F3 and a molecular weight of 222.21 g/mol. Its IUPAC name is 1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
PubChem CID134620923
Molecular FormulaC13H9F3
Molecular Weight222.21 g/mol
Exact Mass222.07
IUPAC Name1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
SMILESCc1cccc(F)c1-c1cccc(F)c1F
InChIInChI=1S/C13H9F3/c1-8-4-2-6-10(14)12(8)9-5-3-7-11(15)13(9)16/h2-7H,1H3
InChIKeyGEMVVRZXBXJKQV-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-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene
CID 118843388
1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone
CID 68833018
2-(2-fluorophenyl)-1,3-dimethylbenzene
CID 22075461
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
4-(2,3-difluorophenyl)-5-fluoro-2-methylaniline
CID 171916628
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
CID 134627237
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66198096
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 62648782
3,6-bis(2-fluoro-6-methylphenyl)-1,2,4,5-tetrazine
CID 129205135
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene?
The IUPAC name of 1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene (CID 134620923) is 1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene?
The canonical SMILES for 1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene is Cc1cccc(F)c1-c1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene?
The InChIKey is GEMVVRZXBXJKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3/c1-8-4-2-6-10(14)12(8)9-5-3-7-11(15)13(9)16/h2-7H,1H3.
What are the key properties of 1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene?
1,2-difluoro-3-(2-fluoro-6-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-(2-fluoro-6-methylphenyl)benzene is sourced from PubChem (CID 134620923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).