N-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide

C12H22F5NO3S — CID 89281573

IUPACN-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide
SMILESCCCCN(CCC)S(=O)(=O)CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H22F5NO3S/c1-3-5-7-18(6-4-2)22(19,20)9-8-21-10-11(13,14)12(15,16)17/h3-10H2,1-2H3
InChIKeyZTAWVGQYKLOFKG-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.04
Rot. Bonds11

About N-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide

N-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide (PubChem CID 89281573) has the molecular formula C12H22F5NO3S and a molecular weight of 355.37 g/mol. Its IUPAC name is N-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide
PubChem CID89281573
Molecular FormulaC12H22F5NO3S
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC NameN-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide
SMILESCCCCN(CCC)S(=O)(=O)CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H22F5NO3S/c1-3-5-7-18(6-4-2)22(19,20)9-8-21-10-11(13,14)12(15,16)17/h3-10H2,1-2H3
InChIKeyZTAWVGQYKLOFKG-UHFFFAOYSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_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-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide?
The IUPAC name of N-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide (CID 89281573) is N-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide.
What is the SMILES notation for N-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide?
The canonical SMILES for N-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide is CCCCN(CCC)S(=O)(=O)CCOCC(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide?
The InChIKey is ZTAWVGQYKLOFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F5NO3S/c1-3-5-7-18(6-4-2)22(19,20)9-8-21-10-11(13,14)12(15,16)17/h3-10H2,1-2H3.
What are the key properties of N-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide?
N-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide has a molecular weight of 355.37 g/mol, XLogP of 3.04, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide is sourced from PubChem (CID 89281573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).