2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine

C10H13F2NOS — CID 116790921

IUPAC2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine
SMILESNCCS(=O)CC(F)(F)c1ccccc1
InChIInChI=1S/C10H13F2NOS/c11-10(12,8-15(14)7-6-13)9-4-2-1-3-5-9/h1-5H,6-8,13H2
InChIKeyNRRWJINCGDWXLP-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.49
Rot. Bonds5

About 2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine

2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine (PubChem CID 116790921) has the molecular formula C10H13F2NOS and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine.

Molecular Properties

Compound Name2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine
PubChem CID116790921
Molecular FormulaC10H13F2NOS
Molecular Weight233.28 g/mol
Exact Mass233.07
IUPAC Name2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine
SMILESNCCS(=O)CC(F)(F)c1ccccc1
InChIInChI=1S/C10H13F2NOS/c11-10(12,8-15(14)7-6-13)9-4-2-1-3-5-9/h1-5H,6-8,13H2
InChIKeyNRRWJINCGDWXLP-UHFFFAOYSA-N
XLogP1.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine?
The IUPAC name of 2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine (CID 116790921) is 2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine.
What is the SMILES notation for 2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine?
The canonical SMILES for 2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine is NCCS(=O)CC(F)(F)c1ccccc1.
What is the InChIKey of 2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine?
The InChIKey is NRRWJINCGDWXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NOS/c11-10(12,8-15(14)7-6-13)9-4-2-1-3-5-9/h1-5H,6-8,13H2.
What are the key properties of 2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine?
2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine has a molecular weight of 233.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-2-phenylethyl)sulfinylethanamine is sourced from PubChem (CID 116790921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).