(4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol

C10H12FNOS — CID 166499588

IUPAC(4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol
SMILESNC1(CO)CSCc2c(F)cccc21
InChIInChI=1S/C10H12FNOS/c11-9-3-1-2-8-7(9)4-14-6-10(8,12)5-13/h1-3,13H,4-6,12H2
InChIKeyIBJBDQQXOMRFLA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.22
Rot. Bonds1

About (4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol

(4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol (PubChem CID 166499588) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is (4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol
PubChem CID166499588
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name(4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol
SMILESNC1(CO)CSCc2c(F)cccc21
InChIInChI=1S/C10H12FNOS/c11-9-3-1-2-8-7(9)4-14-6-10(8,12)5-13/h1-3,13H,4-6,12H2
InChIKeyIBJBDQQXOMRFLA-UHFFFAOYSA-N
XLogP1.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol?
The IUPAC name of (4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol (CID 166499588) is (4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol.
What is the SMILES notation for (4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol?
The canonical SMILES for (4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol is NC1(CO)CSCc2c(F)cccc21.
What is the InChIKey of (4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol?
The InChIKey is IBJBDQQXOMRFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c11-9-3-1-2-8-7(9)4-14-6-10(8,12)5-13/h1-3,13H,4-6,12H2.
What are the key properties of (4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol?
(4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol has a molecular weight of 213.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol is sourced from PubChem (CID 166499588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).