2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine

C8H16FNO2S — CID 105463191

IUPAC2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16FNO2S/c1-8(9,6-10)7-2-4-13(11,12)5-3-7/h7H,2-6,10H2,1H3
InChIKeyOPTZIMASYFFNBC-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.50
Rot. Bonds2

About 2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine

2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine (PubChem CID 105463191) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine
PubChem CID105463191
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16FNO2S/c1-8(9,6-10)7-2-4-13(11,12)5-3-7/h7H,2-6,10H2,1H3
InChIKeyOPTZIMASYFFNBC-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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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine?
The IUPAC name of 2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine (CID 105463191) is 2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine is CC(F)(CN)C1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine?
The InChIKey is OPTZIMASYFFNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-8(9,6-10)7-2-4-13(11,12)5-3-7/h7H,2-6,10H2,1H3.
What are the key properties of 2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine?
2-(1,1-dioxothian-4-yl)-2-fluoropropan-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-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 105463191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).