3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid

C10H18F3NO4S — CID 83068407

IUPAC3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
SMILESCCCC(CC(=O)O)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c1-2-4-8(7-9(15)16)14-19(17,18)6-3-5-10(11,12)13/h8,14H,2-7H2,1H3,(H,15,16)
InChIKeyDKSIKRITHRYKFG-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.89
Rot. Bonds9

About 3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid

3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid (PubChem CID 83068407) has the molecular formula C10H18F3NO4S and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
PubChem CID83068407
Molecular FormulaC10H18F3NO4S
Molecular Weight305.32 g/mol
Exact Mass305.09
IUPAC Name3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
SMILESCCCC(CC(=O)O)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c1-2-4-8(7-9(15)16)14-19(17,18)6-3-5-10(11,12)13/h8,14H,2-7H2,1H3,(H,15,16)
InChIKeyDKSIKRITHRYKFG-UHFFFAOYSA-N
XLogP1.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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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Related Compounds

3-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83067949
4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83068023
(2S)-2-(3,3,3-trifluoropropylsulfonylamino)hexanoic acid
CID 122070574
[(2S)-3-carboxy-2-(undecylsulfonylamino)propyl]-trimethylazanium
CID 10992497
[(2R)-3-carboxy-2-(undecylsulfonylamino)propyl]-trimethylazanium
CID 11728587
4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide
CID 115967682
2-(4,4,4-trifluorobutylsulfonylamino)pent-4-ynoic acid
CID 83068112
3-hydroxy-N-octan-4-ylpropane-1-sulfonamide
CID 106022437
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
4,4,4-trifluoro-N-pent-1-yn-3-ylbutane-1-sulfonamide
CID 106898603
3-(2-methoxyethylsulfamoylamino)hexanoic acid
CID 114814835
3-chloro-N-hexan-3-ylpropane-1-sulfonamide
CID 62093105

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid?
The IUPAC name of 3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid (CID 83068407) is 3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid.
What is the SMILES notation for 3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid?
The canonical SMILES for 3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid is CCCC(CC(=O)O)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid?
The InChIKey is DKSIKRITHRYKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S/c1-2-4-8(7-9(15)16)14-19(17,18)6-3-5-10(11,12)13/h8,14H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid?
3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid has a molecular weight of 305.32 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid is sourced from PubChem (CID 83068407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).