N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

C6H10FNO2S — CID 80693750

IUPACN-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCCF)C1
InChIInChI=1S/C6H10FNO2S/c7-2-3-8-6-1-4-11(9,10)5-6/h1,4,6,8H,2-3,5H2
InChIKeyOFLKSQLVCCOGJD-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.14
Rot. Bonds3

About N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 80693750) has the molecular formula C6H10FNO2S and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID80693750
Molecular FormulaC6H10FNO2S
Molecular Weight179.22 g/mol
Exact Mass179.04
IUPAC NameN-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCCF)C1
InChIInChI=1S/C6H10FNO2S/c7-2-3-8-6-1-4-11(9,10)5-6/h1,4,6,8H,2-3,5H2
InChIKeyOFLKSQLVCCOGJD-UHFFFAOYSA-N
XLogP-0.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 80693750) is N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is O=S1(=O)C=CC(NCCF)C1.
What is the InChIKey of N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is OFLKSQLVCCOGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2S/c7-2-3-8-6-1-4-11(9,10)5-6/h1,4,6,8H,2-3,5H2.
What are the key properties of N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 179.22 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 80693750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).