1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide

C8H16F3NO3S — CID 107155359

IUPAC1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
SMILESCC(C)(C)CC(O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-7(2,3)4-6(13)5-12-16(14,15)8(9,10)11/h6,12-13H,4-5H2,1-3H3
InChIKeyDYVCKLUCMYYTKS-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.22
Rot. Bonds4

About 1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide

1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide (PubChem CID 107155359) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
PubChem CID107155359
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
SMILESCC(C)(C)CC(O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-7(2,3)4-6(13)5-12-16(14,15)8(9,10)11/h6,12-13H,4-5H2,1-3H3
InChIKeyDYVCKLUCMYYTKS-UHFFFAOYSA-N
XLogP1.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide (CID 107155359) is 1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide is CC(C)(C)CC(O)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide?
The InChIKey is DYVCKLUCMYYTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-7(2,3)4-6(13)5-12-16(14,15)8(9,10)11/h6,12-13H,4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide has a molecular weight of 263.28 g/mol, XLogP of 1.22, 4 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-4,4-dimethylpentyl)methanesulfonamide is sourced from PubChem (CID 107155359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).