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

C9H16F3NO4S — CID 83068694

IUPAC4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
SMILESCC(CCC(=O)O)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO4S/c1-7(3-4-8(14)15)13-18(16,17)6-2-5-9(10,11)12/h7,13H,2-6H2,1H3,(H,14,15)
InChIKeyJAFMOPKRGCGIFJ-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.50
Rot. Bonds8

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

4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid (PubChem CID 83068694) has the molecular formula C9H16F3NO4S and a molecular weight of 291.29 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
PubChem CID83068694
Molecular FormulaC9H16F3NO4S
Molecular Weight291.29 g/mol
Exact Mass291.08
IUPAC Name4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
SMILESCC(CCC(=O)O)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO4S/c1-7(3-4-8(14)15)13-18(16,17)6-2-5-9(10,11)12/h7,13H,2-6H2,1H3,(H,14,15)
InChIKeyJAFMOPKRGCGIFJ-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Butylsulfonylamino)-6,6,6-trifluorohexanoic acid
CID 88045967
4-(2,2,2-Trifluoroethylsulfonylamino)butanoic acid
CID 120605755
2-(Difluoromethylsulfonylamino)pentanoic acid
CID 43631252
4-(Trifluoromethylsulfonylamino)pentanoic acid
CID 64096942
4-(Difluoromethylsulfonylamino)pentanoic acid
CID 64097344
5-Methoxy-5-oxo-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83046757
6-(4,4,4-Trifluorobutylsulfonylamino)hexanoic acid
CID 83067724
(2S)-4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83067802
2-Methyl-4-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83067808
4-Methyl-4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83067879
3-Methyl-4-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83067884
3-[(4,4,4-Trifluorobutylsulfonylamino)methyl]pentanoic acid
CID 83067959

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid?
The IUPAC name of 4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid (CID 83068694) is 4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid.
What is the SMILES notation for 4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid?
The canonical SMILES for 4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid is CC(CCC(=O)O)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid?
The InChIKey is JAFMOPKRGCGIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO4S/c1-7(3-4-8(14)15)13-18(16,17)6-2-5-9(10,11)12/h7,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid?
4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid has a molecular weight of 291.29 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid is sourced from PubChem (CID 83068694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).