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

C7H12FNO2S — CID 81107076

IUPACN-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCCCF)C1
InChIInChI=1S/C7H12FNO2S/c8-3-1-4-9-7-2-5-12(10,11)6-7/h2,5,7,9H,1,3-4,6H2
InChIKeyAFYXKPKZJIBOPP-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.25
Rot. Bonds4

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

N-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 81107076) has the molecular formula C7H12FNO2S and a molecular weight of 193.24 g/mol. Its IUPAC name is N-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID81107076
Molecular FormulaC7H12FNO2S
Molecular Weight193.24 g/mol
Exact Mass193.06
IUPAC NameN-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCCCF)C1
InChIInChI=1S/C7H12FNO2S/c8-3-1-4-9-7-2-5-12(10,11)6-7/h2,5,7,9H,1,3-4,6H2
InChIKeyAFYXKPKZJIBOPP-UHFFFAOYSA-N
XLogP0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 81107076) is N-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is O=S1(=O)C=CC(NCCCF)C1.
What is the InChIKey of N-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is AFYXKPKZJIBOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2S/c8-3-1-4-9-7-2-5-12(10,11)6-7/h2,5,7,9H,1,3-4,6H2.
What are the key properties of N-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 193.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 81107076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).