1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide

C8H16F3NO2S — CID 117063801

IUPAC1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-6(2)4-5-7(3)12-15(13,14)8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyYJOWLBBUTNSOQS-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.25
Rot. Bonds5

About 1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide

1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide (PubChem CID 117063801) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide
PubChem CID117063801
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC Name1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-6(2)4-5-7(3)12-15(13,14)8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyYJOWLBBUTNSOQS-UHFFFAOYSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylhexan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 125475152
1,1,1-trifluoro-N-(4-methylcyclohexyl)methanesulfonamide
CID 58427698
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
N-(2,7-dimethyloctyl)-1,1,1-trifluoromethanesulfonamide
CID 88893591
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
N-(4-ethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 132175521
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
N-(1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 146718329
N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide
CID 155468035
ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393883
ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 165393903
ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393913

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide (CID 117063801) is 1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide is CC(C)CCC(C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide?
The InChIKey is YJOWLBBUTNSOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-6(2)4-5-7(3)12-15(13,14)8(9,10)11/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide?
1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide has a molecular weight of 247.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(5-methylhexan-2-yl)methanesulfonamide is sourced from PubChem (CID 117063801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).