[(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol

C10H12FNOS — CID 131378251

IUPAC[(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol
SMILESN[C@]1(CO)CCSc2c(F)cccc21
InChIInChI=1S/C10H12FNOS/c11-8-3-1-2-7-9(8)14-5-4-10(7,12)6-13/h1-3,13H,4-6,12H2/t10-/m0/s1
InChIKeyCWOKOQMWZDTXRK-JTQLQIEISA-N
MW213.28 g/mol
LogP1.47
Rot. Bonds1

About [(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol

[(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol (PubChem CID 131378251) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is [(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol
PubChem CID131378251
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name[(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol
SMILESN[C@]1(CO)CCSc2c(F)cccc21
InChIInChI=1S/C10H12FNOS/c11-8-3-1-2-7-9(8)14-5-4-10(7,12)6-13/h1-3,13H,4-6,12H2/t10-/m0/s1
InChIKeyCWOKOQMWZDTXRK-JTQLQIEISA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol?
The IUPAC name of [(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol (CID 131378251) is [(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol.
What is the SMILES notation for [(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol?
The canonical SMILES for [(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol is N[C@]1(CO)CCSc2c(F)cccc21.
What is the InChIKey of [(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol?
The InChIKey is CWOKOQMWZDTXRK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12FNOS/c11-8-3-1-2-7-9(8)14-5-4-10(7,12)6-13/h1-3,13H,4-6,12H2/t10-/m0/s1.
What are the key properties of [(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol?
[(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol has a molecular weight of 213.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol is sourced from PubChem (CID 131378251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).