2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine

C7H14FNO2S — CID 105449124

IUPAC2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-7(8,5-9)6-2-3-12(10,11)4-6/h6H,2-5,9H2,1H3
InChIKeyYFANMFIJPXFZIW-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.11
Rot. Bonds2

About 2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine

2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine (PubChem CID 105449124) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine
PubChem CID105449124
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-7(8,5-9)6-2-3-12(10,11)4-6/h6H,2-5,9H2,1H3
InChIKeyYFANMFIJPXFZIW-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine (CID 105449124) is 2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine is CC(F)(CN)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine?
The InChIKey is YFANMFIJPXFZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-7(8,5-9)6-2-3-12(10,11)4-6/h6H,2-5,9H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine?
2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine has a molecular weight of 195.26 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 105449124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).