4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol

C6H13F3N2O3S — CID 106844053

IUPAC4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
SMILESO=S(=O)(NCCCCO)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c7-6(8,9)5-11-15(13,14)10-3-1-2-4-12/h10-12H,1-5H2
InChIKeyMVEZTFWBJOWAIF-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.25
Rot. Bonds7

About 4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol

4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol (PubChem CID 106844053) has the molecular formula C6H13F3N2O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
PubChem CID106844053
Molecular FormulaC6H13F3N2O3S
Molecular Weight250.24 g/mol
Exact Mass250.06
IUPAC Name4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
SMILESO=S(=O)(NCCCCO)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c7-6(8,9)5-11-15(13,14)10-3-1-2-4-12/h10-12H,1-5H2
InChIKeyMVEZTFWBJOWAIF-UHFFFAOYSA-N
XLogP-0.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
methyl 6-(2,2,2-trifluoroethylsulfamoylamino)hexanoate
CID 114811435
2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
CID 106170327
3-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808305
10-hydroxydecylsulfamic acid
CID 151793979
3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 114809835
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(4-hydroxybutyl)hexane-1-sulfonamide
CID 141055320
2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114811374
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806866
5-(cyclopropylsulfamoylamino)pentan-1-ol
CID 107319496
methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate
CID 114811439
N-(2,2,2-trifluoroethylsulfamoyl)prop-2-yn-1-amine
CID 114812561

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol (CID 106844053) is 4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol is O=S(=O)(NCCCCO)NCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The InChIKey is MVEZTFWBJOWAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O3S/c7-6(8,9)5-11-15(13,14)10-3-1-2-4-12/h10-12H,1-5H2.
What are the key properties of 4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol has a molecular weight of 250.24 g/mol, XLogP of -0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol is sourced from PubChem (CID 106844053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).