N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine

C7H14FNO2S — CID 80695516

IUPACN-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NCCF)CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-7(9-4-3-8)2-5-12(10,11)6-7/h9H,2-6H2,1H3
InChIKeyJMVAWQWWPLLGBN-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.12
Rot. Bonds3

About N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine

N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 80695516) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID80695516
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC NameN-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NCCF)CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-7(9-4-3-8)2-5-12(10,11)6-7/h9H,2-6H2,1H3
InChIKeyJMVAWQWWPLLGBN-UHFFFAOYSA-N
XLogP0.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine (CID 80695516) is N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine is CC1(NCCF)CCS(=O)(=O)C1.
What is the InChIKey of N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is JMVAWQWWPLLGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-7(9-4-3-8)2-5-12(10,11)6-7/h9H,2-6H2,1H3.
What are the key properties of N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine?
N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 195.26 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 80695516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).