tert-butyl N-(4-fluorobutylsulfonyl)carbamate

C9H18FNO4S — CID 153002934

IUPACtert-butyl N-(4-fluorobutylsulfonyl)carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)CCCCF
InChIInChI=1S/C9H18FNO4S/c1-9(2,3)15-8(12)11-16(13,14)7-5-4-6-10/h4-7H2,1-3H3,(H,11,12)
InChIKeyUYNCSBPHRGWQHN-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.59
Rot. Bonds5

About tert-butyl N-(4-fluorobutylsulfonyl)carbamate

tert-butyl N-(4-fluorobutylsulfonyl)carbamate (PubChem CID 153002934) has the molecular formula C9H18FNO4S and a molecular weight of 255.31 g/mol. Its IUPAC name is tert-butyl N-(4-fluorobutylsulfonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluorobutylsulfonyl)carbamate
PubChem CID153002934
Molecular FormulaC9H18FNO4S
Molecular Weight255.31 g/mol
Exact Mass255.09
IUPAC Nametert-butyl N-(4-fluorobutylsulfonyl)carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)CCCCF
InChIInChI=1S/C9H18FNO4S/c1-9(2,3)15-8(12)11-16(13,14)7-5-4-6-10/h4-7H2,1-3H3,(H,11,12)
InChIKeyUYNCSBPHRGWQHN-UHFFFAOYSA-N
XLogP1.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 170738223
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CID 159273931
tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate
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tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
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tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate
CID 159326280
tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate
CID 149379018
tert-butyl N-propan-2-ylsulfonylcarbamate
CID 18686385
tert-butyl 8-fluorooctanoate
CID 155896225
tert-butyl N-(5-sulfamoylpentyl)carbamate
CID 166997835
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]butanoic acid
CID 114518052
methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluorobutylsulfonyl)carbamate?
The IUPAC name of tert-butyl N-(4-fluorobutylsulfonyl)carbamate (CID 153002934) is tert-butyl N-(4-fluorobutylsulfonyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-fluorobutylsulfonyl)carbamate?
The canonical SMILES for tert-butyl N-(4-fluorobutylsulfonyl)carbamate is CC(C)(C)OC(=O)NS(=O)(=O)CCCCF.
What is the InChIKey of tert-butyl N-(4-fluorobutylsulfonyl)carbamate?
The InChIKey is UYNCSBPHRGWQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO4S/c1-9(2,3)15-8(12)11-16(13,14)7-5-4-6-10/h4-7H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(4-fluorobutylsulfonyl)carbamate?
tert-butyl N-(4-fluorobutylsulfonyl)carbamate has a molecular weight of 255.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluorobutylsulfonyl)carbamate is sourced from PubChem (CID 153002934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).