[(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol

C10H11ClFNOS — CID 175818077

IUPAC[(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol
SMILESN[C@]1(CO)CCSc2c1ccc(Cl)c2F
InChIInChI=1S/C10H11ClFNOS/c11-7-2-1-6-9(8(7)12)15-4-3-10(6,13)5-14/h1-2,14H,3-5,13H2/t10-/m0/s1
InChIKeyWQXHBYKKHRSTKV-JTQLQIEISA-N
MW247.72 g/mol
LogP2.12
Rot. Bonds1

About [(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol

[(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol (PubChem CID 175818077) has the molecular formula C10H11ClFNOS and a molecular weight of 247.72 g/mol. Its IUPAC name is [(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol
PubChem CID175818077
Molecular FormulaC10H11ClFNOS
Molecular Weight247.72 g/mol
Exact Mass247.02
IUPAC Name[(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol
SMILESN[C@]1(CO)CCSc2c1ccc(Cl)c2F
InChIInChI=1S/C10H11ClFNOS/c11-7-2-1-6-9(8(7)12)15-4-3-10(6,13)5-14/h1-2,14H,3-5,13H2/t10-/m0/s1
InChIKeyWQXHBYKKHRSTKV-JTQLQIEISA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol?
The IUPAC name of [(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol (CID 175818077) is [(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol.
What is the SMILES notation for [(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol?
The canonical SMILES for [(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol is N[C@]1(CO)CCSc2c1ccc(Cl)c2F.
What is the InChIKey of [(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol?
The InChIKey is WQXHBYKKHRSTKV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11ClFNOS/c11-7-2-1-6-9(8(7)12)15-4-3-10(6,13)5-14/h1-2,14H,3-5,13H2/t10-/m0/s1.
What are the key properties of [(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol?
[(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol has a molecular weight of 247.72 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol is sourced from PubChem (CID 175818077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).