2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol

C9H19F3N2O3S — CID 106253238

IUPAC2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-3-8(4-2,7-15)5-13-18(16,17)14-6-9(10,11)12/h13-15H,3-7H2,1-2H3
InChIKeyGPRKMIUCDXTDCK-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.77
Rot. Bonds8

About 2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol

2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol (PubChem CID 106253238) has the molecular formula C9H19F3N2O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol
PubChem CID106253238
Molecular FormulaC9H19F3N2O3S
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-3-8(4-2,7-15)5-13-18(16,17)14-6-9(10,11)12/h13-15H,3-7H2,1-2H3
InChIKeyGPRKMIUCDXTDCK-UHFFFAOYSA-N
XLogP0.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol (CID 106253238) is 2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol is CCC(CC)(CO)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol?
The InChIKey is GPRKMIUCDXTDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O3S/c1-3-8(4-2,7-15)5-13-18(16,17)14-6-9(10,11)12/h13-15H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol?
2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol has a molecular weight of 292.32 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butan-1-ol is sourced from PubChem (CID 106253238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).