6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine

C10H11F2NS — CID 82887017

IUPAC6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCNC1CSCc2c(F)cc(F)cc21
InChIInChI=1S/C10H11F2NS/c1-13-10-5-14-4-8-7(10)2-6(11)3-9(8)12/h2-3,10,13H,4-5H2,1H3
InChIKeySKUHWRINZUFFFN-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.47
Rot. Bonds1

About 6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine

6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 82887017) has the molecular formula C10H11F2NS and a molecular weight of 215.27 g/mol. Its IUPAC name is 6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID82887017
Molecular FormulaC10H11F2NS
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCNC1CSCc2c(F)cc(F)cc21
InChIInChI=1S/C10H11F2NS/c1-13-10-5-14-4-8-7(10)2-6(11)3-9(8)12/h2-3,10,13H,4-5H2,1H3
InChIKeySKUHWRINZUFFFN-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of 6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine (CID 82887017) is 6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for 6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for 6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine is CNC1CSCc2c(F)cc(F)cc21.
What is the InChIKey of 6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is SKUHWRINZUFFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NS/c1-13-10-5-14-4-8-7(10)2-6(11)3-9(8)12/h2-3,10,13H,4-5H2,1H3.
What are the key properties of 6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine?
6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 215.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 82887017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).