2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine

C8H16FNO2S — CID 105463186

IUPAC2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1(F)CCS(=O)(=O)C1
InChIInChI=1S/C8H16FNO2S/c1-7(2,5-10)8(9)3-4-13(11,12)6-8/h3-6,10H2,1-2H3
InChIKeyZRYOAAUYVCSTSL-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.50
Rot. Bonds2

About 2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine

2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine (PubChem CID 105463186) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine
PubChem CID105463186
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1(F)CCS(=O)(=O)C1
InChIInChI=1S/C8H16FNO2S/c1-7(2,5-10)8(9)3-4-13(11,12)6-8/h3-6,10H2,1-2H3
InChIKeyZRYOAAUYVCSTSL-UHFFFAOYSA-N
XLogP0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Fluorothiolan-3-yl)-2-methylpropan-1-amine
CID 105437234
2-(1,1-Dioxothiolan-3-yl)-2-fluoropropan-1-amine
CID 105449124
2-(3-Fluoro-1,1-dioxothiolan-3-yl)propan-1-amine
CID 105449135
3-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-2-amine
CID 105463171
2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylpropan-1-amine
CID 105463173
3-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-1-amine
CID 105463174
3-(1,1-Dioxothiolan-3-yl)-2-fluoro-2-methylpropan-1-amine
CID 105463176
2-(1,1-Dioxothian-4-yl)-2-fluoropropan-1-amine
CID 105463191
2-(4-Fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine
CID 105480924
2-(3-Fluoro-1,1-dioxothian-3-yl)-2-methylpropan-1-amine
CID 105480925
2-Ethyl-2-fluoro-4-propylsulfonylbutan-1-amine
CID 106735937
4-Tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine
CID 106735938

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine (CID 105463186) is 2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine is CC(C)(CN)C1(F)CCS(=O)(=O)C1.
What is the InChIKey of 2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine?
The InChIKey is ZRYOAAUYVCSTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(2,5-10)8(9)3-4-13(11,12)6-8/h3-6,10H2,1-2H3.
What are the key properties of 2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine?
2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 105463186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).