2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone

C11H12F3NOS — CID 147868071

IUPAC2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone
SMILESCCSc1cc(C(F)(F)F)ccc1C(=O)CN
InChIInChI=1S/C11H12F3NOS/c1-2-17-10-5-7(11(12,13)14)3-4-8(10)9(16)6-15/h3-5H,2,6,15H2,1H3
InChIKeyHYBGWGOLHDNJFO-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.96
Rot. Bonds4

About 2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone

2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone (PubChem CID 147868071) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone
PubChem CID147868071
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone
SMILESCCSc1cc(C(F)(F)F)ccc1C(=O)CN
InChIInChI=1S/C11H12F3NOS/c1-2-17-10-5-7(11(12,13)14)3-4-8(10)9(16)6-15/h3-5H,2,6,15H2,1H3
InChIKeyHYBGWGOLHDNJFO-UHFFFAOYSA-N
XLogP2.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone (CID 147868071) is 2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone is CCSc1cc(C(F)(F)F)ccc1C(=O)CN.
What is the InChIKey of 2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is HYBGWGOLHDNJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c1-2-17-10-5-7(11(12,13)14)3-4-8(10)9(16)6-15/h3-5H,2,6,15H2,1H3.
What are the key properties of 2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone?
2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 263.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 147868071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).