2-fluoropropyl 2-(butanoylsulfamoyl)acetate

C9H16FNO5S — CID 163848299

IUPAC2-fluoropropyl 2-(butanoylsulfamoyl)acetate
SMILESCCCC(=O)NS(=O)(=O)CC(=O)OCC(C)F
InChIInChI=1S/C9H16FNO5S/c1-3-4-8(12)11-17(14,15)6-9(13)16-5-7(2)10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyVCVNFKUQWVZZME-UHFFFAOYSA-N
MW269.29 g/mol
LogP0.13
Rot. Bonds7

About 2-fluoropropyl 2-(butanoylsulfamoyl)acetate

2-fluoropropyl 2-(butanoylsulfamoyl)acetate (PubChem CID 163848299) has the molecular formula C9H16FNO5S and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-fluoropropyl 2-(butanoylsulfamoyl)acetate.

Molecular Properties

Compound Name2-fluoropropyl 2-(butanoylsulfamoyl)acetate
PubChem CID163848299
Molecular FormulaC9H16FNO5S
Molecular Weight269.29 g/mol
Exact Mass269.07
IUPAC Name2-fluoropropyl 2-(butanoylsulfamoyl)acetate
SMILESCCCC(=O)NS(=O)(=O)CC(=O)OCC(C)F
InChIInChI=1S/C9H16FNO5S/c1-3-4-8(12)11-17(14,15)6-9(13)16-5-7(2)10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyVCVNFKUQWVZZME-UHFFFAOYSA-N
XLogP0.13
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 90380821
2-(2,2,3,3,4,4,4-Heptafluorobutanoylsulfamoyl)ethyl 2,2-difluoropropanoate
CID 163871503
2-[2-(Butanoylsulfamoyl)acetyl]oxy-1-fluoroethanesulfonic acid
CID 168145377
2-[2-(Butanoylsulfamoyl)acetyl]oxy-1-fluoroethanesulfonate
CID 170528993
2-(2,2-Dimethylbutanoylsulfamoyl)ethyl 2-fluoropropanoate
CID 167650689
2-(2,2-Dimethylbutanoylsulfamoyl)ethyl acetate
CID 59440547
Sodium;4-ethoxy-4-oxobutane-1-sulfonate;propanamide
CID 174969171

Frequently Asked Questions

What is the IUPAC name of 2-fluoropropyl 2-(butanoylsulfamoyl)acetate?
The IUPAC name of 2-fluoropropyl 2-(butanoylsulfamoyl)acetate (CID 163848299) is 2-fluoropropyl 2-(butanoylsulfamoyl)acetate.
What is the SMILES notation for 2-fluoropropyl 2-(butanoylsulfamoyl)acetate?
The canonical SMILES for 2-fluoropropyl 2-(butanoylsulfamoyl)acetate is CCCC(=O)NS(=O)(=O)CC(=O)OCC(C)F.
What is the InChIKey of 2-fluoropropyl 2-(butanoylsulfamoyl)acetate?
The InChIKey is VCVNFKUQWVZZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO5S/c1-3-4-8(12)11-17(14,15)6-9(13)16-5-7(2)10/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-fluoropropyl 2-(butanoylsulfamoyl)acetate?
2-fluoropropyl 2-(butanoylsulfamoyl)acetate has a molecular weight of 269.29 g/mol, XLogP of 0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropyl 2-(butanoylsulfamoyl)acetate is sourced from PubChem (CID 163848299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).