2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide

C6H10F3NO2S — CID 165460041

IUPAC2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide
SMILESNS(=O)C(C1CCCO1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)5(13(10)11)4-2-1-3-12-4/h4-5H,1-3,10H2
InChIKeyXXMDTNYKCBFAAA-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.72
Rot. Bonds2

About 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide

2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide (PubChem CID 165460041) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide
PubChem CID165460041
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide
SMILESNS(=O)C(C1CCCO1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)5(13(10)11)4-2-1-3-12-4/h4-5H,1-3,10H2
InChIKeyXXMDTNYKCBFAAA-UHFFFAOYSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide?
The IUPAC name of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide (CID 165460041) is 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide.
What is the SMILES notation for 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide?
The canonical SMILES for 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide is NS(=O)C(C1CCCO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide?
The InChIKey is XXMDTNYKCBFAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-6(8,9)5(13(10)11)4-2-1-3-12-4/h4-5H,1-3,10H2.
What are the key properties of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide?
2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide has a molecular weight of 217.21 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfinamide is sourced from PubChem (CID 165460041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).