2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide

C10H10F3NOS — CID 10682054

IUPAC2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(NCCSc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)9(15)14-6-7-16-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyFMBJFKFMNCDCLQ-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.46
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide

2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 10682054) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide
PubChem CID10682054
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(NCCSc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)9(15)14-6-7-16-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyFMBJFKFMNCDCLQ-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide (CID 10682054) is 2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide is O=C(NCCSc1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is FMBJFKFMNCDCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c11-10(12,13)9(15)14-6-7-16-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide?
2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 249.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 10682054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).