5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine

C10H12FNOS — CID 82887222

IUPAC5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCOc1ccc(F)c2c1CSCC2N
InChIInChI=1S/C10H12FNOS/c1-13-9-3-2-7(11)10-6(9)4-14-5-8(10)12/h2-3,8H,4-5,12H2,1H3
InChIKeyDWRVLOSOBJKOSJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.08
Rot. Bonds1

About 5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine

5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 82887222) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID82887222
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCOc1ccc(F)c2c1CSCC2N
InChIInChI=1S/C10H12FNOS/c1-13-9-3-2-7(11)10-6(9)4-14-5-8(10)12/h2-3,8H,4-5,12H2,1H3
InChIKeyDWRVLOSOBJKOSJ-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of 5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine (CID 82887222) is 5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for 5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for 5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine is COc1ccc(F)c2c1CSCC2N.
What is the InChIKey of 5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is DWRVLOSOBJKOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-13-9-3-2-7(11)10-6(9)4-14-5-8(10)12/h2-3,8H,4-5,12H2,1H3.
What are the key properties of 5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine?
5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 213.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 82887222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).