6-(difluoromethylsulfonylamino)hexanoic acid

C7H13F2NO4S — CID 28606639

IUPAC6-(difluoromethylsulfonylamino)hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2NO4S/c8-7(9)15(13,14)10-5-3-1-2-4-6(11)12/h7,10H,1-5H2,(H,11,12)
InChIKeyFFPHRNRXKUWRRH-UHFFFAOYSA-N
MW245.25 g/mol
LogP0.77
Rot. Bonds8

About 6-(difluoromethylsulfonylamino)hexanoic acid

6-(difluoromethylsulfonylamino)hexanoic acid (PubChem CID 28606639) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is 6-(difluoromethylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(difluoromethylsulfonylamino)hexanoic acid
PubChem CID28606639
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC Name6-(difluoromethylsulfonylamino)hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2NO4S/c8-7(9)15(13,14)10-5-3-1-2-4-6(11)12/h7,10H,1-5H2,(H,11,12)
InChIKeyFFPHRNRXKUWRRH-UHFFFAOYSA-N
XLogP0.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 50.77
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
(2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid
CID 54324263
6-(Trifluoromethylsulfonyloxyamino)hexanoic acid
CID 90071581
(2S)-2-(trifluoromethylsulfonylamino)hexanoic acid
CID 107144934
[(1S)-5-amino-1-carboxypentyl]azanium;trifluoromethanesulfonate
CID 139629253
[(1S)-5-amino-1-carboxypentyl]azanium;bis(trifluoromethylsulfonyl)azanide
CID 140087922
2,6-Diaminohexanoic acid;trifluoromethanesulfonic acid
CID 175493523
(2S)-2,6-diaminohexanoic acid;trifluoromethanesulfonic acid
CID 175969375
(2S)-2,6-diaminohexanoic acid;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 176268536
6-(Methanesulfonamido)hexanoic acid
CID 3125359
7-(Difluoromethylsulfonylamino)heptanoic acid
CID 28606883
7-(Trifluoromethylsulfonylamino)heptanoic acid
CID 43361479

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethylsulfonylamino)hexanoic acid?
The IUPAC name of 6-(difluoromethylsulfonylamino)hexanoic acid (CID 28606639) is 6-(difluoromethylsulfonylamino)hexanoic acid.
What is the SMILES notation for 6-(difluoromethylsulfonylamino)hexanoic acid?
The canonical SMILES for 6-(difluoromethylsulfonylamino)hexanoic acid is O=C(O)CCCCCNS(=O)(=O)C(F)F.
What is the InChIKey of 6-(difluoromethylsulfonylamino)hexanoic acid?
The InChIKey is FFPHRNRXKUWRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c8-7(9)15(13,14)10-5-3-1-2-4-6(11)12/h7,10H,1-5H2,(H,11,12).
What are the key properties of 6-(difluoromethylsulfonylamino)hexanoic acid?
6-(difluoromethylsulfonylamino)hexanoic acid has a molecular weight of 245.25 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethylsulfonylamino)hexanoic acid is sourced from PubChem (CID 28606639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).