N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

C7H11F2NO2S — CID 102869686

IUPACN-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCC(NC1C=CS(=O)(=O)C1)C(F)F
InChIInChI=1S/C7H11F2NO2S/c1-5(7(8)9)10-6-2-3-13(11,12)4-6/h2-3,5-7,10H,4H2,1H3
InChIKeyWBNRFHXIFWVWIG-UHFFFAOYSA-N
MW211.23 g/mol
LogP0.54
Rot. Bonds3

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

N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 102869686) has the molecular formula C7H11F2NO2S and a molecular weight of 211.23 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID102869686
Molecular FormulaC7H11F2NO2S
Molecular Weight211.23 g/mol
Exact Mass211.05
IUPAC NameN-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCC(NC1C=CS(=O)(=O)C1)C(F)F
InChIInChI=1S/C7H11F2NO2S/c1-5(7(8)9)10-6-2-3-13(11,12)4-6/h2-3,5-7,10H,4H2,1H3
InChIKeyWBNRFHXIFWVWIG-UHFFFAOYSA-N
XLogP0.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 102869686) is N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is CC(NC1C=CS(=O)(=O)C1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is WBNRFHXIFWVWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2S/c1-5(7(8)9)10-6-2-3-13(11,12)4-6/h2-3,5-7,10H,4H2,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 211.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 102869686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).