1,2-difluorobenzene

C6H4F2 — CID 9706

IUPAC1,2-difluorobenzene
SMILESFc1ccccc1F
InChIInChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyGOYDNIKZWGIXJT-UHFFFAOYSA-N
MW114.09 g/mol
LogP1.96
Rot. Bonds

About 1,2-difluorobenzene

1,2-difluorobenzene (PubChem CID 9706) has the molecular formula C6H4F2 and a molecular weight of 114.09 g/mol. Its IUPAC name is 1,2-difluorobenzene.

Molecular Properties

Compound Name1,2-difluorobenzene
PubChem CID9706
Molecular FormulaC6H4F2
Molecular Weight114.09 g/mol
Exact Mass114.03
IUPAC Name1,2-difluorobenzene
SMILESFc1ccccc1F
InChIInChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyGOYDNIKZWGIXJT-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.09
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-difluorobenzene 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

Benzene
CID 241
Phenylmercuric Chloride
CID 7511
Fluorobenzene
CID 10008
Iodobenzene
CID 11575
1,3-Difluorobenzene
CID 9741
Benzene-D6
CID 71601
Phenylphosphine
CID 12519
Pentafluorobenzene
CID 9696
Phenylmercuric hydroxide
CID 7512
1,4-Difluorobenzene
CID 10892
Benzeneselenol
CID 69530
2-Fluorophenylboronic acid
CID 2734354

Frequently Asked Questions

What is the IUPAC name of 1,2-difluorobenzene?
The IUPAC name of 1,2-difluorobenzene (CID 9706) is 1,2-difluorobenzene.
What is the SMILES notation for 1,2-difluorobenzene?
The canonical SMILES for 1,2-difluorobenzene is Fc1ccccc1F.
What is the InChIKey of 1,2-difluorobenzene?
The InChIKey is GOYDNIKZWGIXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H.
What are the key properties of 1,2-difluorobenzene?
1,2-difluorobenzene has a molecular weight of 114.09 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluorobenzene is sourced from PubChem (CID 9706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).