2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine

C11H24FNO2S — CID 106735947

IUPAC2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine
SMILESCC(C)S(=O)(=O)CCC(F)(CN)C(C)(C)C
InChIInChI=1S/C11H24FNO2S/c1-9(2)16(14,15)7-6-11(12,8-13)10(3,4)5/h9H,6-8,13H2,1-5H3
InChIKeyQCJMSTDXHGACFL-UHFFFAOYSA-N
MW253.38 g/mol
LogP1.91
Rot. Bonds5

About 2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine

2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine (PubChem CID 106735947) has the molecular formula C11H24FNO2S and a molecular weight of 253.38 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine
PubChem CID106735947
Molecular FormulaC11H24FNO2S
Molecular Weight253.38 g/mol
Exact Mass253.15
IUPAC Name2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine
SMILESCC(C)S(=O)(=O)CCC(F)(CN)C(C)(C)C
InChIInChI=1S/C11H24FNO2S/c1-9(2)16(14,15)7-6-11(12,8-13)10(3,4)5/h9H,6-8,13H2,1-5H3
InChIKeyQCJMSTDXHGACFL-UHFFFAOYSA-N
XLogP1.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine (CID 106735947) is 2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine is CC(C)S(=O)(=O)CCC(F)(CN)C(C)(C)C.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine?
The InChIKey is QCJMSTDXHGACFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO2S/c1-9(2)16(14,15)7-6-11(12,8-13)10(3,4)5/h9H,6-8,13H2,1-5H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine?
2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine has a molecular weight of 253.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine is sourced from PubChem (CID 106735947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).