2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide

C9H18FNO4S — CID 59170426

IUPAC2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide
SMILESCCC(F)(OC(C)(C)C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C9H18FNO4S/c1-6-9(10,15-8(2,3)4)7(12)11-16(5,13)14/h6H2,1-5H3,(H,11,12)
InChIKeyRXFFHPCJMHAZJD-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.95
Rot. Bonds4

About 2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide

2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide (PubChem CID 59170426) has the molecular formula C9H18FNO4S and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide
PubChem CID59170426
Molecular FormulaC9H18FNO4S
Molecular Weight255.31 g/mol
Exact Mass255.09
IUPAC Name2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide
SMILESCCC(F)(OC(C)(C)C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C9H18FNO4S/c1-6-9(10,15-8(2,3)4)7(12)11-16(5,13)14/h6H2,1-5H3,(H,11,12)
InChIKeyRXFFHPCJMHAZJD-UHFFFAOYSA-N
XLogP0.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide?
The IUPAC name of 2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide (CID 59170426) is 2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide?
The canonical SMILES for 2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide is CCC(F)(OC(C)(C)C)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide?
The InChIKey is RXFFHPCJMHAZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO4S/c1-6-9(10,15-8(2,3)4)7(12)11-16(5,13)14/h6H2,1-5H3,(H,11,12).
What are the key properties of 2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide?
2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide has a molecular weight of 255.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide is sourced from PubChem (CID 59170426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).