sulfuryl difluoride;trichloro(nitro)methane

CCl3F2NO4S — CID 87077102

IUPACsulfuryl difluoride;trichloro(nitro)methane
SMILESO=S(=O)(F)F.O=[N+]([O-])C(Cl)(Cl)Cl
InChIInChI=1S/CCl3NO2.F2O2S/c2-1(3,4)5(6)7;1-5(2,3)4
InChIKeyLVJNOBLNGAANOM-UHFFFAOYSA-N
MW266.44 g/mol
LogP1.76
Rot. Bonds

About sulfuryl difluoride;trichloro(nitro)methane

sulfuryl difluoride;trichloro(nitro)methane (PubChem CID 87077102) has the molecular formula CCl3F2NO4S and a molecular weight of 266.44 g/mol. Its IUPAC name is sulfuryl difluoride;trichloro(nitro)methane.

Molecular Properties

Compound Namesulfuryl difluoride;trichloro(nitro)methane
PubChem CID87077102
Molecular FormulaCCl3F2NO4S
Molecular Weight266.44 g/mol
Exact Mass264.86
IUPAC Namesulfuryl difluoride;trichloro(nitro)methane
SMILESO=S(=O)(F)F.O=[N+]([O-])C(Cl)(Cl)Cl
InChIInChI=1S/CCl3NO2.F2O2S/c2-1(3,4)5(6)7;1-5(2,3)4
InChIKeyLVJNOBLNGAANOM-UHFFFAOYSA-N
XLogP1.76
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sulfane;trichloro(nitro)methane
CID 158062482
1,2-dichloro-1,1,2-trifluoro-2-nitroethane
CID 23278501
potassium;sulfuryl dichloride;nitrate
CID 172693068
molecular hydrogen;sulfuryl difluoride
CID 175091653
tetrasilver;tetranitrate
CID 172745321
beryllium dinitrate
CID 26126
CID 174887684
CID 174887684
1-chloro-1,1-difluoro-2-nitroethane
CID 13345479
2-[chloro(difluoro)methyl]-2-nitropropane-1,3-diol
CID 14071414
nitric acid;sulfurochloridic acid
CID 23373927
2-[chloro-bis(2-fluoro-2,2-dinitroethoxy)methoxy]-1-fluoro-1,1-dinitroethane
CID 14047294
beryllium;nitrate;tetrahydrate
CID 19806872

Frequently Asked Questions

What is the IUPAC name of sulfuryl difluoride;trichloro(nitro)methane?
The IUPAC name of sulfuryl difluoride;trichloro(nitro)methane (CID 87077102) is sulfuryl difluoride;trichloro(nitro)methane.
What is the SMILES notation for sulfuryl difluoride;trichloro(nitro)methane?
The canonical SMILES for sulfuryl difluoride;trichloro(nitro)methane is O=S(=O)(F)F.O=[N+]([O-])C(Cl)(Cl)Cl.
What is the InChIKey of sulfuryl difluoride;trichloro(nitro)methane?
The InChIKey is LVJNOBLNGAANOM-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl3NO2.F2O2S/c2-1(3,4)5(6)7;1-5(2,3)4.
What are the key properties of sulfuryl difluoride;trichloro(nitro)methane?
sulfuryl difluoride;trichloro(nitro)methane has a molecular weight of 266.44 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl difluoride;trichloro(nitro)methane is sourced from PubChem (CID 87077102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).