[bis(trifluoromethoxysulfinyl)amino]-trifluoromethane

C3F9NO4S2 — CID 58152788

IUPAC[bis(trifluoromethoxysulfinyl)amino]-trifluoromethane
SMILESO=S(OC(F)(F)F)N(S(=O)OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F9NO4S2/c4-1(5,6)13(18(14)16-2(7,8)9)19(15)17-3(10,11)12
InChIKeyPQBHBQYLXSAUDA-UHFFFAOYSA-N
MW349.15 g/mol
LogP2.04
Rot. Bonds4

About [bis(trifluoromethoxysulfinyl)amino]-trifluoromethane

[bis(trifluoromethoxysulfinyl)amino]-trifluoromethane (PubChem CID 58152788) has the molecular formula C3F9NO4S2 and a molecular weight of 349.15 g/mol. Its IUPAC name is [bis(trifluoromethoxysulfinyl)amino]-trifluoromethane.

Molecular Properties

Compound Name[bis(trifluoromethoxysulfinyl)amino]-trifluoromethane
PubChem CID58152788
Molecular FormulaC3F9NO4S2
Molecular Weight349.15 g/mol
Exact Mass348.91
IUPAC Name[bis(trifluoromethoxysulfinyl)amino]-trifluoromethane
SMILESO=S(OC(F)(F)F)N(S(=O)OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F9NO4S2/c4-1(5,6)13(18(14)16-2(7,8)9)19(15)17-3(10,11)12
InChIKeyPQBHBQYLXSAUDA-UHFFFAOYSA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [bis(trifluoromethoxysulfinyl)amino]-trifluoromethane?
The IUPAC name of [bis(trifluoromethoxysulfinyl)amino]-trifluoromethane (CID 58152788) is [bis(trifluoromethoxysulfinyl)amino]-trifluoromethane.
What is the SMILES notation for [bis(trifluoromethoxysulfinyl)amino]-trifluoromethane?
The canonical SMILES for [bis(trifluoromethoxysulfinyl)amino]-trifluoromethane is O=S(OC(F)(F)F)N(S(=O)OC(F)(F)F)C(F)(F)F.
What is the InChIKey of [bis(trifluoromethoxysulfinyl)amino]-trifluoromethane?
The InChIKey is PQBHBQYLXSAUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F9NO4S2/c4-1(5,6)13(18(14)16-2(7,8)9)19(15)17-3(10,11)12.
What are the key properties of [bis(trifluoromethoxysulfinyl)amino]-trifluoromethane?
[bis(trifluoromethoxysulfinyl)amino]-trifluoromethane has a molecular weight of 349.15 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(trifluoromethoxysulfinyl)amino]-trifluoromethane is sourced from PubChem (CID 58152788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).