6-(difluoromethylsulfonylamino)-2-methylheptanoic acid

C9H17F2NO4S — CID 65284873

IUPAC6-(difluoromethylsulfonylamino)-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NS(=O)(=O)C(F)F
InChIInChI=1S/C9H17F2NO4S/c1-6(8(13)14)4-3-5-7(2)12-17(15,16)9(10)11/h6-7,9,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyRPEJSRWHGFVJHL-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.41
Rot. Bonds8

About 6-(difluoromethylsulfonylamino)-2-methylheptanoic acid

6-(difluoromethylsulfonylamino)-2-methylheptanoic acid (PubChem CID 65284873) has the molecular formula C9H17F2NO4S and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-(difluoromethylsulfonylamino)-2-methylheptanoic acid.

Molecular Properties

Compound Name6-(difluoromethylsulfonylamino)-2-methylheptanoic acid
PubChem CID65284873
Molecular FormulaC9H17F2NO4S
Molecular Weight273.30 g/mol
Exact Mass273.08
IUPAC Name6-(difluoromethylsulfonylamino)-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NS(=O)(=O)C(F)F
InChIInChI=1S/C9H17F2NO4S/c1-6(8(13)14)4-3-5-7(2)12-17(15,16)9(10)11/h6-7,9,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyRPEJSRWHGFVJHL-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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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethylsulfonylamino)-2-methylheptanoic acid?
The IUPAC name of 6-(difluoromethylsulfonylamino)-2-methylheptanoic acid (CID 65284873) is 6-(difluoromethylsulfonylamino)-2-methylheptanoic acid.
What is the SMILES notation for 6-(difluoromethylsulfonylamino)-2-methylheptanoic acid?
The canonical SMILES for 6-(difluoromethylsulfonylamino)-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NS(=O)(=O)C(F)F.
What is the InChIKey of 6-(difluoromethylsulfonylamino)-2-methylheptanoic acid?
The InChIKey is RPEJSRWHGFVJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO4S/c1-6(8(13)14)4-3-5-7(2)12-17(15,16)9(10)11/h6-7,9,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 6-(difluoromethylsulfonylamino)-2-methylheptanoic acid?
6-(difluoromethylsulfonylamino)-2-methylheptanoic 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)-2-methylheptanoic acid is sourced from PubChem (CID 65284873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).