1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide

C8H10F9NO4S — CID 3022204

IUPAC1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide
SMILESO=S(=O)(N(CCO)CCO)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F9NO4S/c9-5(6(10,11)12,7(13,14)15)8(16,17)23(21,22)18(1-3-19)2-4-20/h19-20H,1-4H2
InChIKeyQSEWDLHUEPHPCY-UHFFFAOYSA-N
MW387.22 g/mol
LogP1.03
Rot. Bonds7

About 1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide

1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide (PubChem CID 3022204) has the molecular formula C8H10F9NO4S and a molecular weight of 387.22 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide
PubChem CID3022204
Molecular FormulaC8H10F9NO4S
Molecular Weight387.22 g/mol
Exact Mass387.02
IUPAC Name1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide
SMILESO=S(=O)(N(CCO)CCO)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F9NO4S/c9-5(6(10,11)12,7(13,14)15)8(16,17)23(21,22)18(1-3-19)2-4-20/h19-20H,1-4H2
InChIKeyQSEWDLHUEPHPCY-UHFFFAOYSA-N
XLogP1.03
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide?
The IUPAC name of 1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide (CID 3022204) is 1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide?
The canonical SMILES for 1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide is O=S(=O)(N(CCO)CCO)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide?
The InChIKey is QSEWDLHUEPHPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F9NO4S/c9-5(6(10,11)12,7(13,14)15)8(16,17)23(21,22)18(1-3-19)2-4-20/h19-20H,1-4H2.
What are the key properties of 1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide?
1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide has a molecular weight of 387.22 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide is sourced from PubChem (CID 3022204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).