2-(2-fluorophenyl)sulfinylethanamine;hydrochloride

C8H11ClFNOS — CID 54593153

IUPAC2-(2-fluorophenyl)sulfinylethanamine;hydrochloride
SMILESCl.NCCS(=O)c1ccccc1F
InChIInChI=1S/C8H10FNOS.ClH/c9-7-3-1-2-4-8(7)12(11)6-5-10;/h1-4H,5-6,10H2;1H
InChIKeySTCRRERGLJYCPN-UHFFFAOYSA-N
MW223.70 g/mol
LogP1.31
Rot. Bonds3

About 2-(2-fluorophenyl)sulfinylethanamine;hydrochloride

2-(2-fluorophenyl)sulfinylethanamine;hydrochloride (PubChem CID 54593153) has the molecular formula C8H11ClFNOS and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinylethanamine;hydrochloride
PubChem CID54593153
Molecular FormulaC8H11ClFNOS
Molecular Weight223.70 g/mol
Exact Mass223.02
IUPAC Name2-(2-fluorophenyl)sulfinylethanamine;hydrochloride
SMILESCl.NCCS(=O)c1ccccc1F
InChIInChI=1S/C8H10FNOS.ClH/c9-7-3-1-2-4-8(7)12(11)6-5-10;/h1-4H,5-6,10H2;1H
InChIKeySTCRRERGLJYCPN-UHFFFAOYSA-N
XLogP1.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinylethanamine;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)sulfinylethanamine;hydrochloride (CID 54593153) is 2-(2-fluorophenyl)sulfinylethanamine;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinylethanamine;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)sulfinylethanamine;hydrochloride is Cl.NCCS(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfinylethanamine;hydrochloride?
The InChIKey is STCRRERGLJYCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNOS.ClH/c9-7-3-1-2-4-8(7)12(11)6-5-10;/h1-4H,5-6,10H2;1H.
What are the key properties of 2-(2-fluorophenyl)sulfinylethanamine;hydrochloride?
2-(2-fluorophenyl)sulfinylethanamine;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfinylethanamine;hydrochloride is sourced from PubChem (CID 54593153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).