2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid

C10H18F3NO4S — CID 83068471

IUPAC2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
SMILESCCCCC(NS(=O)(=O)CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO4S/c1-2-3-5-8(9(15)16)14-19(17,18)7-4-6-10(11,12)13/h8,14H,2-7H2,1H3,(H,15,16)
InChIKeyBDWZQLDCWGYCEA-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.89
Rot. Bonds9

About 2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid

2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid (PubChem CID 83068471) has the molecular formula C10H18F3NO4S and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
PubChem CID83068471
Molecular FormulaC10H18F3NO4S
Molecular Weight305.32 g/mol
Exact Mass305.09
IUPAC Name2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
SMILESCCCCC(NS(=O)(=O)CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO4S/c1-2-3-5-8(9(15)16)14-19(17,18)7-4-6-10(11,12)13/h8,14H,2-7H2,1H3,(H,15,16)
InChIKeyBDWZQLDCWGYCEA-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

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[(1S)-5-amino-1-carboxypentyl]azanium;bis(trifluoromethylsulfonyl)azanide
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CID 140092144
(2S)-6-amino-2-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)amino]hexanoic acid
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(2S)-2,6-diaminohexanoic acid;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid?
The IUPAC name of 2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid (CID 83068471) is 2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid.
What is the SMILES notation for 2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid?
The canonical SMILES for 2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid is CCCCC(NS(=O)(=O)CCCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid?
The InChIKey is BDWZQLDCWGYCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S/c1-2-3-5-8(9(15)16)14-19(17,18)7-4-6-10(11,12)13/h8,14H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid?
2-(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 2-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid is sourced from PubChem (CID 83068471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).