butane;methylsulfonyl(trifluoromethylsulfonyl)azanide

C6H13F3NO4S2- — CID 160690698

IUPACbutane;methylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESCCCC.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H10.C2H3F3NO4S2/c1-3-4-2;1-11(7,8)6-12(9,10)2(3,4)5/h3-4H2,1-2H3;1H3/q;-1
InChIKeyRPJDXNYQJAJWCM-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.98
Rot. Bonds3

About butane;methylsulfonyl(trifluoromethylsulfonyl)azanide

butane;methylsulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 160690698) has the molecular formula C6H13F3NO4S2- and a molecular weight of 284.30 g/mol. Its IUPAC name is butane;methylsulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namebutane;methylsulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID160690698
Molecular FormulaC6H13F3NO4S2-
Molecular Weight284.30 g/mol
Exact Mass284.02
IUPAC Namebutane;methylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESCCCC.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H10.C2H3F3NO4S2/c1-3-4-2;1-11(7,8)6-12(9,10)2(3,4)5/h3-4H2,1-2H3;1H3/q;-1
InChIKeyRPJDXNYQJAJWCM-UHFFFAOYSA-N
XLogP1.98
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butane;methylsulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of butane;methylsulfonyl(trifluoromethylsulfonyl)azanide (CID 160690698) is butane;methylsulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for butane;methylsulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for butane;methylsulfonyl(trifluoromethylsulfonyl)azanide is CCCC.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of butane;methylsulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is RPJDXNYQJAJWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C2H3F3NO4S2/c1-3-4-2;1-11(7,8)6-12(9,10)2(3,4)5/h3-4H2,1-2H3;1H3/q;-1.
What are the key properties of butane;methylsulfonyl(trifluoromethylsulfonyl)azanide?
butane;methylsulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 284.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methylsulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 160690698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).