1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide

C5H7F6NO2S2 — CID 126608061

IUPAC1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide
SMILESCC(C)N(S(=O)C(F)(F)F)S(=O)C(F)(F)F
InChIInChI=1S/C5H7F6NO2S2/c1-3(2)12(15(13)4(6,7)8)16(14)5(9,10)11/h3H,1-2H3
InChIKeyWAUBUQHDUDBQIB-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.06
Rot. Bonds3

About 1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide

1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide (PubChem CID 126608061) has the molecular formula C5H7F6NO2S2 and a molecular weight of 291.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide
PubChem CID126608061
Molecular FormulaC5H7F6NO2S2
Molecular Weight291.24 g/mol
Exact Mass290.98
IUPAC Name1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide
SMILESCC(C)N(S(=O)C(F)(F)F)S(=O)C(F)(F)F
InChIInChI=1S/C5H7F6NO2S2/c1-3(2)12(15(13)4(6,7)8)16(14)5(9,10)11/h3H,1-2H3
InChIKeyWAUBUQHDUDBQIB-UHFFFAOYSA-N
XLogP2.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide?
The IUPAC name of 1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide (CID 126608061) is 1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide.
What is the SMILES notation for 1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide?
The canonical SMILES for 1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide is CC(C)N(S(=O)C(F)(F)F)S(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide?
The InChIKey is WAUBUQHDUDBQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6NO2S2/c1-3(2)12(15(13)4(6,7)8)16(14)5(9,10)11/h3H,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide?
1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide has a molecular weight of 291.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfinyl)methanesulfinamide is sourced from PubChem (CID 126608061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).