sulfuryl diisocyanide;trifluoromethoxybenzene

C9H5F3N2O3S — CID 162183940

IUPACsulfuryl diisocyanide;trifluoromethoxybenzene
SMILESFC(F)(F)Oc1ccccc1.[C-]#[N+]S(=O)(=O)[N+]#[C-]
InChIInChI=1S/C7H5F3O.C2N2O2S/c8-7(9,10)11-6-4-2-1-3-5-6;1-3-7(5,6)4-2/h1-5H;
InChIKeyZPKIPTZIYMTVNT-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.65
Rot. Bonds1

About sulfuryl diisocyanide;trifluoromethoxybenzene

sulfuryl diisocyanide;trifluoromethoxybenzene (PubChem CID 162183940) has the molecular formula C9H5F3N2O3S and a molecular weight of 278.21 g/mol. Its IUPAC name is sulfuryl diisocyanide;trifluoromethoxybenzene.

Molecular Properties

Compound Namesulfuryl diisocyanide;trifluoromethoxybenzene
PubChem CID162183940
Molecular FormulaC9H5F3N2O3S
Molecular Weight278.21 g/mol
Exact Mass278.00
IUPAC Namesulfuryl diisocyanide;trifluoromethoxybenzene
SMILESFC(F)(F)Oc1ccccc1.[C-]#[N+]S(=O)(=O)[N+]#[C-]
InChIInChI=1S/C7H5F3O.C2N2O2S/c8-7(9,10)11-6-4-2-1-3-5-6;1-3-7(5,6)4-2/h1-5H;
InChIKeyZPKIPTZIYMTVNT-UHFFFAOYSA-N
XLogP2.65
TPSA52.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sulfuryl diisocyanide;trifluoromethoxybenzene 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

trifluoromethoxybenzene
CID 157402708
trifluoromethoxybenzene fluoride
CID 158305019
[4-(trifluoromethoxy)phenyl] benzenesulfonate
CID 174480543
propan-2-ol;trifluoromethoxybenzene
CID 161029707
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
isothiocyanic acid;trifluoromethoxybenzene
CID 175112094
1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride
CID 154731388
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid
CID 59850749
N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31687969
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane
CID 172859449
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581

Frequently Asked Questions

What is the IUPAC name of sulfuryl diisocyanide;trifluoromethoxybenzene?
The IUPAC name of sulfuryl diisocyanide;trifluoromethoxybenzene (CID 162183940) is sulfuryl diisocyanide;trifluoromethoxybenzene.
What is the SMILES notation for sulfuryl diisocyanide;trifluoromethoxybenzene?
The canonical SMILES for sulfuryl diisocyanide;trifluoromethoxybenzene is FC(F)(F)Oc1ccccc1.[C-]#[N+]S(=O)(=O)[N+]#[C-].
What is the InChIKey of sulfuryl diisocyanide;trifluoromethoxybenzene?
The InChIKey is ZPKIPTZIYMTVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O.C2N2O2S/c8-7(9,10)11-6-4-2-1-3-5-6;1-3-7(5,6)4-2/h1-5H;.
What are the key properties of sulfuryl diisocyanide;trifluoromethoxybenzene?
sulfuryl diisocyanide;trifluoromethoxybenzene has a molecular weight of 278.21 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl diisocyanide;trifluoromethoxybenzene is sourced from PubChem (CID 162183940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).