2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol

C11H14FNOS — CID 83911309

IUPAC2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol
SMILESNCC(O)C1CCSc2ccc(F)cc21
InChIInChI=1S/C11H14FNOS/c12-7-1-2-11-9(5-7)8(3-4-15-11)10(14)6-13/h1-2,5,8,10,14H,3-4,6,13H2
InChIKeyQSJCPQLJTSYERU-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.72
Rot. Bonds2

About 2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol

2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol (PubChem CID 83911309) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol
PubChem CID83911309
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol
SMILESNCC(O)C1CCSc2ccc(F)cc21
InChIInChI=1S/C11H14FNOS/c12-7-1-2-11-9(5-7)8(3-4-15-11)10(14)6-13/h1-2,5,8,10,14H,3-4,6,13H2
InChIKeyQSJCPQLJTSYERU-UHFFFAOYSA-N
XLogP1.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol?
The IUPAC name of 2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol (CID 83911309) is 2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol is NCC(O)C1CCSc2ccc(F)cc21.
What is the InChIKey of 2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol?
The InChIKey is QSJCPQLJTSYERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-7-1-2-11-9(5-7)8(3-4-15-11)10(14)6-13/h1-2,5,8,10,14H,3-4,6,13H2.
What are the key properties of 2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol?
2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol has a molecular weight of 227.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol is sourced from PubChem (CID 83911309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).