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

C11H22F3NO2S — CID 18735741

IUPACN-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C11H22F3NO2S/c1-5-7-15(8-6-10(2,3)4)18(16,17)9-11(12,13)14/h5-9H2,1-4H3
InChIKeyIFLKFUWFSHYLMS-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.03
Rot. Bonds6

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

N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide (PubChem CID 18735741) has the molecular formula C11H22F3NO2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide
PubChem CID18735741
Molecular FormulaC11H22F3NO2S
Molecular Weight289.36 g/mol
Exact Mass289.13
IUPAC NameN-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C11H22F3NO2S/c1-5-7-15(8-6-10(2,3)4)18(16,17)9-11(12,13)14/h5-9H2,1-4H3
InChIKeyIFLKFUWFSHYLMS-UHFFFAOYSA-N
XLogP3.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide (CID 18735741) is N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide is CCCN(CCC(C)(C)C)S(=O)(=O)CC(F)(F)F.
What is the InChIKey of N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide?
The InChIKey is IFLKFUWFSHYLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2S/c1-5-7-15(8-6-10(2,3)4)18(16,17)9-11(12,13)14/h5-9H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide?
N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide is sourced from PubChem (CID 18735741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).