2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine

C10H22FNO2S — CID 106735951

IUPAC2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine
SMILESCC(C)C(F)(CN)CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H22FNO2S/c1-8(2)10(11,7-12)5-6-15(13,14)9(3)4/h8-9H,5-7,12H2,1-4H3
InChIKeyFNXIOXQCDGWAQB-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.52
Rot. Bonds6

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

2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine (PubChem CID 106735951) has the molecular formula C10H22FNO2S and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine
PubChem CID106735951
Molecular FormulaC10H22FNO2S
Molecular Weight239.36 g/mol
Exact Mass239.14
IUPAC Name2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine
SMILESCC(C)C(F)(CN)CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H22FNO2S/c1-8(2)10(11,7-12)5-6-15(13,14)9(3)4/h8-9H,5-7,12H2,1-4H3
InChIKeyFNXIOXQCDGWAQB-UHFFFAOYSA-N
XLogP1.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine (CID 106735951) is 2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine is CC(C)C(F)(CN)CCS(=O)(=O)C(C)C.
What is the InChIKey of 2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine?
The InChIKey is FNXIOXQCDGWAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2S/c1-8(2)10(11,7-12)5-6-15(13,14)9(3)4/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine?
2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-(2-propan-2-ylsulfonylethyl)butan-1-amine is sourced from PubChem (CID 106735951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).