N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide

C12H24F3NO3S — CID 89281563

IUPACN,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO3S/c1-3-5-7-16(8-6-4-2)20(17,18)10-9-19-11-12(13,14)15/h3-11H2,1-2H3
InChIKeyHSOVALYWNBFVAI-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.80
Rot. Bonds11

About N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide

N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide (PubChem CID 89281563) has the molecular formula C12H24F3NO3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
PubChem CID89281563
Molecular FormulaC12H24F3NO3S
Molecular Weight319.39 g/mol
Exact Mass319.14
IUPAC NameN,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO3S/c1-3-5-7-16(8-6-4-2)20(17,18)10-9-19-11-12(13,14)15/h3-11H2,1-2H3
InChIKeyHSOVALYWNBFVAI-UHFFFAOYSA-N
XLogP2.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide
CID 18735449
2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-propan-2-ylethanesulfonamide
CID 18735450
2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-propylethanesulfonamide
CID 18735451
N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide
CID 18735740
N-(3,3-dimethylbutyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
CID 18735819
N-(3,3-dimethylbutyl)-N-(2-methylpropyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide
CID 18735820
N-(3,3-dimethylbutyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
CID 18735826
N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propan-2-ylethanesulfonamide
CID 18735827
N-(3,3-dimethylbutyl)-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
CID 18735833
N-butyl-2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)ethanesulfonamide
CID 18736025
N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
CID 18736072
N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide
CID 18736073

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
The IUPAC name of N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide (CID 89281563) is N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide.
What is the SMILES notation for N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
The canonical SMILES for N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide is CCCCN(CCCC)S(=O)(=O)CCOCC(F)(F)F.
What is the InChIKey of N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
The InChIKey is HSOVALYWNBFVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO3S/c1-3-5-7-16(8-6-4-2)20(17,18)10-9-19-11-12(13,14)15/h3-11H2,1-2H3.
What are the key properties of N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide has a molecular weight of 319.39 g/mol, XLogP of 2.80, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide is sourced from PubChem (CID 89281563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).