6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid

C10H18F3NO4S — CID 83067724

IUPAC6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c11-10(12,13)6-4-8-19(17,18)14-7-3-1-2-5-9(15)16/h14H,1-8H2,(H,15,16)
InChIKeyGOGWBRZOYITFAM-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.89
Rot. Bonds10

About 6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid

6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid (PubChem CID 83067724) has the molecular formula C10H18F3NO4S and a molecular weight of 305.32 g/mol. Its IUPAC name is 6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
PubChem CID83067724
Molecular FormulaC10H18F3NO4S
Molecular Weight305.32 g/mol
Exact Mass305.09
IUPAC Name6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c11-10(12,13)6-4-8-19(17,18)14-7-3-1-2-5-9(15)16/h14H,1-8H2,(H,15,16)
InChIKeyGOGWBRZOYITFAM-UHFFFAOYSA-N
XLogP1.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(Trifluoromethylsulfonylamino)hexanoic acid
CID 43361180
2-(Butylsulfonylamino)-6,6,6-trifluorohexanoic acid
CID 88045967
6-(Difluoromethylsulfonylamino)hexanoic acid
CID 28606639
7-(Difluoromethylsulfonylamino)heptanoic acid
CID 28606883
7-(Trifluoromethylsulfonylamino)heptanoic acid
CID 43361479
6-(Difluoromethylsulfonylamino)-4-ethylhexanoic acid
CID 64350424
4-Ethyl-6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
CID 83047769
4,4-Dimethyl-6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
CID 83047772
(3S)-5-methyl-3-[(4,4,4-trifluorobutylsulfonylamino)methyl]hexanoic acid
CID 83048016
5-Methyl-3-[(4,4,4-trifluorobutylsulfonylamino)methyl]hexanoic acid
CID 83048017
Methyl 6-(4,4,4-trifluorobutylsulfonylamino)hexanoate
CID 83058242
7-(4,4,4-Trifluorobutylsulfonylamino)heptanoic acid
CID 83067876

Frequently Asked Questions

What is the IUPAC name of 6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid?
The IUPAC name of 6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid (CID 83067724) is 6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid.
What is the SMILES notation for 6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid?
The canonical SMILES for 6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid is O=C(O)CCCCCNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid?
The InChIKey is GOGWBRZOYITFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S/c11-10(12,13)6-4-8-19(17,18)14-7-3-1-2-5-9(15)16/h14H,1-8H2,(H,15,16).
What are the key properties of 6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid?
6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid has a molecular weight of 305.32 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid is sourced from PubChem (CID 83067724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).