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

C14H26F5NO3S — CID 18735740

IUPACN-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H26F5NO3S/c1-5-7-20(8-6-12(2,3)4)24(21,22)10-9-23-11-13(15,16)14(17,18)19/h5-11H2,1-4H3
InChIKeyDFQGOXHJSGVKQB-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.68
Rot. Bonds10

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

N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide (PubChem CID 18735740) has the molecular formula C14H26F5NO3S and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide
PubChem CID18735740
Molecular FormulaC14H26F5NO3S
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H26F5NO3S/c1-5-7-20(8-6-12(2,3)4)24(21,22)10-9-23-11-13(15,16)14(17,18)19/h5-11H2,1-4H3
InChIKeyDFQGOXHJSGVKQB-UHFFFAOYSA-N
XLogP3.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide (CID 18735740) is N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide is CCCN(CCC(C)(C)C)S(=O)(=O)CCOCC(F)(F)C(F)(F)F.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide?
The InChIKey is DFQGOXHJSGVKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F5NO3S/c1-5-7-20(8-6-12(2,3)4)24(21,22)10-9-23-11-13(15,16)14(17,18)19/h5-11H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide?
N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide has a molecular weight of 383.42 g/mol, XLogP of 3.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide is sourced from PubChem (CID 18735740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).