2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid

C10H18F3NO4S — CID 83068689

IUPAC2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
SMILESCCCC(C)(NS(=O)(=O)CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO4S/c1-3-5-9(2,8(15)16)14-19(17,18)7-4-6-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,16)
InChIKeySNFDAZQXFHQEBH-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.89
Rot. Bonds8

About 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid

2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid (PubChem CID 83068689) has the molecular formula C10H18F3NO4S and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
PubChem CID83068689
Molecular FormulaC10H18F3NO4S
Molecular Weight305.32 g/mol
Exact Mass305.09
IUPAC Name2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
SMILESCCCC(C)(NS(=O)(=O)CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO4S/c1-3-5-9(2,8(15)16)14-19(17,18)7-4-6-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,16)
InChIKeySNFDAZQXFHQEBH-UHFFFAOYSA-N
XLogP1.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid (CID 83068689) is 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid is CCCC(C)(NS(=O)(=O)CCCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid?
The InChIKey is SNFDAZQXFHQEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S/c1-3-5-9(2,8(15)16)14-19(17,18)7-4-6-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid?
2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid has a molecular weight of 305.32 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid is sourced from PubChem (CID 83068689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).