1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine

C11H10F3NO2S — CID 2886335

IUPAC1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C11H10F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10-4-5-18(16,17)7-10/h1-6,10,15H,7H2
InChIKeyYHXDUGZZDBQBGH-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.43
Rot. Bonds2

About 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine

1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine (PubChem CID 2886335) has the molecular formula C11H10F3NO2S and a molecular weight of 277.27 g/mol. Its IUPAC name is 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine
PubChem CID2886335
Molecular FormulaC11H10F3NO2S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C11H10F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10-4-5-18(16,17)7-10/h1-6,10,15H,7H2
InChIKeyYHXDUGZZDBQBGH-UHFFFAOYSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine?
The IUPAC name of 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine (CID 2886335) is 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine?
The canonical SMILES for 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine is O=S1(=O)C=CC(Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine?
The InChIKey is YHXDUGZZDBQBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10-4-5-18(16,17)7-10/h1-6,10,15H,7H2.
What are the key properties of 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine?
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine has a molecular weight of 277.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 2886335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).