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

C11H14FNO3S — CID 43440309

IUPAC2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol
SMILESO=S1(=O)CCC(NCCO)c2cc(F)ccc21
InChIInChI=1S/C11H14FNO3S/c12-8-1-2-11-9(7-8)10(13-4-5-14)3-6-17(11,15)16/h1-2,7,10,13-14H,3-6H2
InChIKeyPJWVOABCDQQWLH-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.63
Rot. Bonds3

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

2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol (PubChem CID 43440309) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol
PubChem CID43440309
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol
SMILESO=S1(=O)CCC(NCCO)c2cc(F)ccc21
InChIInChI=1S/C11H14FNO3S/c12-8-1-2-11-9(7-8)10(13-4-5-14)3-6-17(11,15)16/h1-2,7,10,13-14H,3-6H2
InChIKeyPJWVOABCDQQWLH-UHFFFAOYSA-N
XLogP0.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol?
The IUPAC name of 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol (CID 43440309) is 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol?
The canonical SMILES for 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol is O=S1(=O)CCC(NCCO)c2cc(F)ccc21.
What is the InChIKey of 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol?
The InChIKey is PJWVOABCDQQWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-8-1-2-11-9(7-8)10(13-4-5-14)3-6-17(11,15)16/h1-2,7,10,13-14H,3-6H2.
What are the key properties of 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol?
2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol has a molecular weight of 259.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]ethanol is sourced from PubChem (CID 43440309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).