6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid

C9H17F2NO4S — CID 65284819

IUPAC6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNS(=O)(=O)C(F)F)CCC(=O)O
InChIInChI=1S/C9H17F2NO4S/c1-9(2,4-3-7(13)14)5-6-12-17(15,16)8(10)11/h8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyIWYSVEISZLEYQJ-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.41
Rot. Bonds8

About 6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid

6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid (PubChem CID 65284819) has the molecular formula C9H17F2NO4S and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid
PubChem CID65284819
Molecular FormulaC9H17F2NO4S
Molecular Weight273.30 g/mol
Exact Mass273.08
IUPAC Name6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNS(=O)(=O)C(F)F)CCC(=O)O
InChIInChI=1S/C9H17F2NO4S/c1-9(2,4-3-7(13)14)5-6-12-17(15,16)8(10)11/h8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyIWYSVEISZLEYQJ-UHFFFAOYSA-N
XLogP1.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Difluoromethylsulfonylamino)hexanoic acid
CID 28606639
4-[2-(Difluoromethylsulfonylamino)ethyl]heptanoic acid
CID 64344157
4-[2-(Trifluoromethylsulfonylamino)ethyl]heptanoic acid
CID 64344159
4-[2-(Difluoromethylsulfonylamino)ethyl]-5-methylhexanoic acid
CID 64345737
5-Methyl-4-[2-(trifluoromethylsulfonylamino)ethyl]hexanoic acid
CID 64346123
4-Ethyl-6-(trifluoromethylsulfonylamino)hexanoic acid
CID 64348433
6-(Difluoromethylsulfonylamino)-4-ethylhexanoic acid
CID 64350424
4-[2-(Difluoromethylsulfonylamino)ethyl]-5,5-dimethylhexanoic acid
CID 64358947
5,5-Dimethyl-4-[2-(trifluoromethylsulfonylamino)ethyl]hexanoic acid
CID 64359327
6-(Difluoromethylsulfonylamino)-4-methylhexanoic acid
CID 64364545
4-Methyl-6-(trifluoromethylsulfonylamino)hexanoic acid
CID 64365958
6-(Difluoromethylsulfonylamino)-2-methylheptanoic acid
CID 65284873

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid?
The IUPAC name of 6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid (CID 65284819) is 6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid is CC(C)(CCNS(=O)(=O)C(F)F)CCC(=O)O.
What is the InChIKey of 6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid?
The InChIKey is IWYSVEISZLEYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO4S/c1-9(2,4-3-7(13)14)5-6-12-17(15,16)8(10)11/h8,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid?
6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid has a molecular weight of 273.30 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65284819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).