N-tert-butyl-1-fluoroethanesulfonamide

C6H14FNO2S — CID 130208651

IUPACN-tert-butyl-1-fluoroethanesulfonamide
SMILESCC(F)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C6H14FNO2S/c1-5(7)11(9,10)8-6(2,3)4/h5,8H,1-4H3
InChIKeyPPFJEMPZDJLSFZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.02
Rot. Bonds2

About N-tert-butyl-1-fluoroethanesulfonamide

N-tert-butyl-1-fluoroethanesulfonamide (PubChem CID 130208651) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is N-tert-butyl-1-fluoroethanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-fluoroethanesulfonamide
PubChem CID130208651
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC NameN-tert-butyl-1-fluoroethanesulfonamide
SMILESCC(F)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C6H14FNO2S/c1-5(7)11(9,10)8-6(2,3)4/h5,8H,1-4H3
InChIKeyPPFJEMPZDJLSFZ-UHFFFAOYSA-N
XLogP1.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-fluoroethanesulfonamide?
The IUPAC name of N-tert-butyl-1-fluoroethanesulfonamide (CID 130208651) is N-tert-butyl-1-fluoroethanesulfonamide.
What is the SMILES notation for N-tert-butyl-1-fluoroethanesulfonamide?
The canonical SMILES for N-tert-butyl-1-fluoroethanesulfonamide is CC(F)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-fluoroethanesulfonamide?
The InChIKey is PPFJEMPZDJLSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-5(7)11(9,10)8-6(2,3)4/h5,8H,1-4H3.
What are the key properties of N-tert-butyl-1-fluoroethanesulfonamide?
N-tert-butyl-1-fluoroethanesulfonamide has a molecular weight of 183.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-fluoroethanesulfonamide is sourced from PubChem (CID 130208651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).