2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine

C8H16FNO2S — CID 105463190

IUPAC2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine
SMILESCC(C)(N)C1(F)CCCS(=O)(=O)C1
InChIInChI=1S/C8H16FNO2S/c1-7(2,10)8(9)4-3-5-13(11,12)6-8/h3-6,10H2,1-2H3
InChIKeyLAVAEPJMNVINMZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.64
Rot. Bonds1

About 2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine

2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine (PubChem CID 105463190) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine
PubChem CID105463190
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine
SMILESCC(C)(N)C1(F)CCCS(=O)(=O)C1
InChIInChI=1S/C8H16FNO2S/c1-7(2,10)8(9)4-3-5-13(11,12)6-8/h3-6,10H2,1-2H3
InChIKeyLAVAEPJMNVINMZ-UHFFFAOYSA-N
XLogP0.64
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Fluoromethyl)-1,1-dioxothian-3-amine
CID 84768424
1-(4-Fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine
CID 84779603
4-(2-Fluoropropan-2-yl)-1,1-dioxothian-4-amine
CID 84780769
1-[(4-Fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine
CID 84787968
2-(3-Fluorothian-3-yl)propan-2-amine
CID 105437238
3-Fluoro-4-methyl-1,1-dioxothian-4-amine
CID 105439415
4-Fluoro-3-methyl-1,1-dioxothian-3-amine
CID 105439416
1-(1,1-Dioxothian-3-yl)-1-fluoropropan-2-amine
CID 105463169
1-(1,1-Dioxothian-4-yl)-1-fluoropropan-2-amine
CID 105463170
2-(1,1-Dioxothian-3-yl)-2-fluoropropan-1-amine
CID 105463172
2-(4-Fluoro-1,1-dioxothian-4-yl)propan-1-amine
CID 105463187
2-(3-Fluoro-1,1-dioxothian-3-yl)propan-1-amine
CID 105463188

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine?
The IUPAC name of 2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine (CID 105463190) is 2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine.
What is the SMILES notation for 2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine?
The canonical SMILES for 2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine is CC(C)(N)C1(F)CCCS(=O)(=O)C1.
What is the InChIKey of 2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine?
The InChIKey is LAVAEPJMNVINMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(2,10)8(9)4-3-5-13(11,12)6-8/h3-6,10H2,1-2H3.
What are the key properties of 2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine?
2-(3-fluoro-1,1-dioxothian-3-yl)propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 0.64, 1 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-dioxothian-3-yl)propan-2-amine is sourced from PubChem (CID 105463190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).