2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine

C9H20FNO2S — CID 106735962

IUPAC2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)CCS(=O)(=O)CC
InChIInChI=1S/C9H20FNO2S/c1-3-5-9(10,8-11)6-7-14(12,13)4-2/h3-8,11H2,1-2H3
InChIKeyHRBHSLYKDBLTQX-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.28
Rot. Bonds7

About 2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine

2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine (PubChem CID 106735962) has the molecular formula C9H20FNO2S and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine
PubChem CID106735962
Molecular FormulaC9H20FNO2S
Molecular Weight225.33 g/mol
Exact Mass225.12
IUPAC Name2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)CCS(=O)(=O)CC
InChIInChI=1S/C9H20FNO2S/c1-3-5-9(10,8-11)6-7-14(12,13)4-2/h3-8,11H2,1-2H3
InChIKeyHRBHSLYKDBLTQX-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine?
The IUPAC name of 2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine (CID 106735962) is 2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine.
What is the SMILES notation for 2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine?
The canonical SMILES for 2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine is CCCC(F)(CN)CCS(=O)(=O)CC.
What is the InChIKey of 2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine?
The InChIKey is HRBHSLYKDBLTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO2S/c1-3-5-9(10,8-11)6-7-14(12,13)4-2/h3-8,11H2,1-2H3.
What are the key properties of 2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine?
2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethyl)-2-fluoropentan-1-amine is sourced from PubChem (CID 106735962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).