1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide

C7H14F3NO3S — CID 106290528

IUPAC1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-3-4-6(2,12)5-11-15(13,14)7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyGEKXLJBPCCJPJR-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.98
Rot. Bonds5

About 1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide

1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide (PubChem CID 106290528) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide
PubChem CID106290528
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC Name1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-3-4-6(2,12)5-11-15(13,14)7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyGEKXLJBPCCJPJR-UHFFFAOYSA-N
XLogP0.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-1,1-difluoromethanesulfonamide
CID 65112823
1,1,1-trifluoro-N-(2-hydroxy-2-methylbutyl)methanesulfonamide
CID 65112988
1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
CID 65113106
1,1-difluoro-N-(2-hydroxy-2-methylbutyl)methanesulfonamide
CID 65113214
1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
CID 65113284
N-(2-ethyl-2-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide
CID 65113362
1,1-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)methanesulfonamide
CID 66178793
1,1,1-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)methanesulfonamide
CID 66180957
4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide
CID 83059412
1,1-difluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide
CID 103835267
4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide
CID 103943159
2-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
CID 106290432

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide (CID 106290528) is 1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide is CCCC(C)(O)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide?
The InChIKey is GEKXLJBPCCJPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-3-4-6(2,12)5-11-15(13,14)7(8,9)10/h11-12H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide has a molecular weight of 249.25 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-hydroxy-2-methylpentyl)methanesulfonamide is sourced from PubChem (CID 106290528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).