6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine

C12H15F2NS — CID 79414867

IUPAC6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1c2cc(F)cc(F)c2SC(C)C1C
InChIInChI=1S/C12H15F2NS/c1-6-7(2)16-12-9(11(6)15-3)4-8(13)5-10(12)14/h4-7,11,15H,1-3H3
InChIKeyRFGHJDOBOATDRN-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.36
Rot. Bonds1

About 6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine

6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 79414867) has the molecular formula C12H15F2NS and a molecular weight of 243.32 g/mol. Its IUPAC name is 6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID79414867
Molecular FormulaC12H15F2NS
Molecular Weight243.32 g/mol
Exact Mass243.09
IUPAC Name6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1c2cc(F)cc(F)c2SC(C)C1C
InChIInChI=1S/C12H15F2NS/c1-6-7(2)16-12-9(11(6)15-3)4-8(13)5-10(12)14/h4-7,11,15H,1-3H3
InChIKeyRFGHJDOBOATDRN-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.36
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,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine (CID 79414867) is 6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine is CNC1c2cc(F)cc(F)c2SC(C)C1C.
What is the InChIKey of 6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is RFGHJDOBOATDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NS/c1-6-7(2)16-12-9(11(6)15-3)4-8(13)5-10(12)14/h4-7,11,15H,1-3H3.
What are the key properties of 6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine?
6,8-difluoro-N,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 243.32 g/mol, XLogP of 3.36, 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,2,3-trimethyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 79414867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).