2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine

C10H14FNO2S — CID 84694592

IUPAC2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine
SMILESNCCc1ccccc1S(=O)(=O)CCF
InChIInChI=1S/C10H14FNO2S/c11-6-8-15(13,14)10-4-2-1-3-9(10)5-7-12/h1-4H,5-8,12H2
InChIKeyJCUQTZQEWQFHKO-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.93
Rot. Bonds5

About 2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine

2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine (PubChem CID 84694592) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine
PubChem CID84694592
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine
SMILESNCCc1ccccc1S(=O)(=O)CCF
InChIInChI=1S/C10H14FNO2S/c11-6-8-15(13,14)10-4-2-1-3-9(10)5-7-12/h1-4H,5-8,12H2
InChIKeyJCUQTZQEWQFHKO-UHFFFAOYSA-N
XLogP0.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine?
The IUPAC name of 2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine (CID 84694592) is 2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine is NCCc1ccccc1S(=O)(=O)CCF.
What is the InChIKey of 2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine?
The InChIKey is JCUQTZQEWQFHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c11-6-8-15(13,14)10-4-2-1-3-9(10)5-7-12/h1-4H,5-8,12H2.
What are the key properties of 2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine?
2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine has a molecular weight of 231.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine is sourced from PubChem (CID 84694592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).