N-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide

C11H22F3NO3S — CID 89281567

IUPACN-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
SMILESCCCCN(CCC)S(=O)(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO3S/c1-3-5-7-15(6-4-2)19(16,17)9-8-18-10-11(12,13)14/h3-10H2,1-2H3
InChIKeySFPLBISGIRWTQY-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.41
Rot. Bonds10

About N-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide

N-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide (PubChem CID 89281567) has the molecular formula C11H22F3NO3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
PubChem CID89281567
Molecular FormulaC11H22F3NO3S
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC NameN-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
SMILESCCCCN(CCC)S(=O)(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO3S/c1-3-5-7-15(6-4-2)19(16,17)9-8-18-10-11(12,13)14/h3-10H2,1-2H3
InChIKeySFPLBISGIRWTQY-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.41
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-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
The IUPAC name of N-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide (CID 89281567) is N-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide.
What is the SMILES notation for N-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
The canonical SMILES for N-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide is CCCCN(CCC)S(=O)(=O)CCOCC(F)(F)F.
What is the InChIKey of N-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
The InChIKey is SFPLBISGIRWTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO3S/c1-3-5-7-15(6-4-2)19(16,17)9-8-18-10-11(12,13)14/h3-10H2,1-2H3.
What are the key properties of N-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide?
N-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide is sourced from PubChem (CID 89281567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).