2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol

C10H14FNOS — CID 130293539

IUPAC2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol
SMILESCCSc1ccc(C(N)CO)c(F)c1
InChIInChI=1S/C10H14FNOS/c1-2-14-7-3-4-8(9(11)5-7)10(12)6-13/h3-5,10,13H,2,6,12H2,1H3
InChIKeyFAYBAYZVZPXSQU-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.93
Rot. Bonds4

About 2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol

2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol (PubChem CID 130293539) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol
PubChem CID130293539
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol
SMILESCCSc1ccc(C(N)CO)c(F)c1
InChIInChI=1S/C10H14FNOS/c1-2-14-7-3-4-8(9(11)5-7)10(12)6-13/h3-5,10,13H,2,6,12H2,1H3
InChIKeyFAYBAYZVZPXSQU-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol?
The IUPAC name of 2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol (CID 130293539) is 2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol is CCSc1ccc(C(N)CO)c(F)c1.
What is the InChIKey of 2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol?
The InChIKey is FAYBAYZVZPXSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-2-14-7-3-4-8(9(11)5-7)10(12)6-13/h3-5,10,13H,2,6,12H2,1H3.
What are the key properties of 2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol?
2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol has a molecular weight of 215.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol is sourced from PubChem (CID 130293539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).