4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine

C9H8F3NO2S — CID 83233628

IUPAC4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine
SMILESNC1CS(=O)(=O)c2c(F)cccc2C1(F)F
InChIInChI=1S/C9H8F3NO2S/c10-6-3-1-2-5-8(6)16(14,15)4-7(13)9(5,11)12/h1-3,7H,4,13H2
InChIKeyBZAPEHNSXDGWCH-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.03
Rot. Bonds

About 4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine

4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine (PubChem CID 83233628) has the molecular formula C9H8F3NO2S and a molecular weight of 251.23 g/mol. Its IUPAC name is 4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine.

Molecular Properties

Compound Name4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine
PubChem CID83233628
Molecular FormulaC9H8F3NO2S
Molecular Weight251.23 g/mol
Exact Mass251.02
IUPAC Name4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine
SMILESNC1CS(=O)(=O)c2c(F)cccc2C1(F)F
InChIInChI=1S/C9H8F3NO2S/c10-6-3-1-2-5-8(6)16(14,15)4-7(13)9(5,11)12/h1-3,7H,4,13H2
InChIKeyBZAPEHNSXDGWCH-UHFFFAOYSA-N
XLogP1.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine?
The IUPAC name of 4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine (CID 83233628) is 4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine.
What is the SMILES notation for 4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine?
The canonical SMILES for 4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine is NC1CS(=O)(=O)c2c(F)cccc2C1(F)F.
What is the InChIKey of 4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine?
The InChIKey is BZAPEHNSXDGWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2S/c10-6-3-1-2-5-8(6)16(14,15)4-7(13)9(5,11)12/h1-3,7H,4,13H2.
What are the key properties of 4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine?
4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine has a molecular weight of 251.23 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine is sourced from PubChem (CID 83233628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).