benzene-1,2-diamine;sulfuryl difluoride

C6H8F2N2O2S — CID 88604078

IUPACbenzene-1,2-diamine;sulfuryl difluoride
SMILESNc1ccccc1N.O=S(=O)(F)F
InChIInChI=1S/C6H8N2.F2O2S/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h1-4H,7-8H2;
InChIKeyWVWYRLOYOLJEBY-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.02
Rot. Bonds

About benzene-1,2-diamine;sulfuryl difluoride

benzene-1,2-diamine;sulfuryl difluoride (PubChem CID 88604078) has the molecular formula C6H8F2N2O2S and a molecular weight of 210.21 g/mol. Its IUPAC name is benzene-1,2-diamine;sulfuryl difluoride.

Molecular Properties

Compound Namebenzene-1,2-diamine;sulfuryl difluoride
PubChem CID88604078
Molecular FormulaC6H8F2N2O2S
Molecular Weight210.21 g/mol
Exact Mass210.03
IUPAC Namebenzene-1,2-diamine;sulfuryl difluoride
SMILESNc1ccccc1N.O=S(=O)(F)F
InChIInChI=1S/C6H8N2.F2O2S/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h1-4H,7-8H2;
InChIKeyWVWYRLOYOLJEBY-UHFFFAOYSA-N
XLogP1.02
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;sulfuryl difluoride?
The IUPAC name of benzene-1,2-diamine;sulfuryl difluoride (CID 88604078) is benzene-1,2-diamine;sulfuryl difluoride.
What is the SMILES notation for benzene-1,2-diamine;sulfuryl difluoride?
The canonical SMILES for benzene-1,2-diamine;sulfuryl difluoride is Nc1ccccc1N.O=S(=O)(F)F.
What is the InChIKey of benzene-1,2-diamine;sulfuryl difluoride?
The InChIKey is WVWYRLOYOLJEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.F2O2S/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h1-4H,7-8H2;.
What are the key properties of benzene-1,2-diamine;sulfuryl difluoride?
benzene-1,2-diamine;sulfuryl difluoride has a molecular weight of 210.21 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;sulfuryl difluoride is sourced from PubChem (CID 88604078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).