2-(4-fluorophenyl)sulfinylethanamine

C8H10FNOS — CID 58684155

IUPAC2-(4-fluorophenyl)sulfinylethanamine
SMILESNCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C8H10FNOS/c9-7-1-3-8(4-2-7)12(11)6-5-10/h1-4H,5-6,10H2
InChIKeyGEVZJZFZSORNKC-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.89
Rot. Bonds3

About 2-(4-fluorophenyl)sulfinylethanamine

2-(4-fluorophenyl)sulfinylethanamine (PubChem CID 58684155) has the molecular formula C8H10FNOS and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinylethanamine
PubChem CID58684155
Molecular FormulaC8H10FNOS
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Name2-(4-fluorophenyl)sulfinylethanamine
SMILESNCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C8H10FNOS/c9-7-1-3-8(4-2-7)12(11)6-5-10/h1-4H,5-6,10H2
InChIKeyGEVZJZFZSORNKC-UHFFFAOYSA-N
XLogP0.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinylethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfinylethanamine (CID 58684155) is 2-(4-fluorophenyl)sulfinylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfinylethanamine is NCCS(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinylethanamine?
The InChIKey is GEVZJZFZSORNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNOS/c9-7-1-3-8(4-2-7)12(11)6-5-10/h1-4H,5-6,10H2.
What are the key properties of 2-(4-fluorophenyl)sulfinylethanamine?
2-(4-fluorophenyl)sulfinylethanamine has a molecular weight of 187.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinylethanamine is sourced from PubChem (CID 58684155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).