6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine

C11H11F4NO2S — CID 66204740

IUPAC6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine
SMILESCNC1(C(F)(F)F)CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C11H11F4NO2S/c1-16-10(11(13,14)15)4-5-19(17,18)9-3-2-7(12)6-8(9)10/h2-3,6,16H,4-5H2,1H3
InChIKeyGRFKDBOMEXXLJF-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.98
Rot. Bonds1

About 6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine

6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine (PubChem CID 66204740) has the molecular formula C11H11F4NO2S and a molecular weight of 297.27 g/mol. Its IUPAC name is 6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine
PubChem CID66204740
Molecular FormulaC11H11F4NO2S
Molecular Weight297.27 g/mol
Exact Mass297.04
IUPAC Name6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine
SMILESCNC1(C(F)(F)F)CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C11H11F4NO2S/c1-16-10(11(13,14)15)4-5-19(17,18)9-3-2-7(12)6-8(9)10/h2-3,6,16H,4-5H2,1H3
InChIKeyGRFKDBOMEXXLJF-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine?
The IUPAC name of 6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine (CID 66204740) is 6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine is CNC1(C(F)(F)F)CCS(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine?
The InChIKey is GRFKDBOMEXXLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2S/c1-16-10(11(13,14)15)4-5-19(17,18)9-3-2-7(12)6-8(9)10/h2-3,6,16H,4-5H2,1H3.
What are the key properties of 6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine?
6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine has a molecular weight of 297.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine is sourced from PubChem (CID 66204740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).