6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol

C8H17F3N2O3S — CID 107847829

IUPAC6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol
SMILESO=S(=O)(NCCCCCCO)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O3S/c9-8(10,11)7-13-17(15,16)12-5-3-1-2-4-6-14/h12-14H,1-7H2
InChIKeyGTXLQQFNGBPAPF-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.53
Rot. Bonds9

About 6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol

6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol (PubChem CID 107847829) has the molecular formula C8H17F3N2O3S and a molecular weight of 278.30 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol
PubChem CID107847829
Molecular FormulaC8H17F3N2O3S
Molecular Weight278.30 g/mol
Exact Mass278.09
IUPAC Name6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol
SMILESO=S(=O)(NCCCCCCO)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O3S/c9-8(10,11)7-13-17(15,16)12-5-3-1-2-4-6-14/h12-14H,1-7H2
InChIKeyGTXLQQFNGBPAPF-UHFFFAOYSA-N
XLogP0.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.53
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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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol?
The IUPAC name of 6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol (CID 107847829) is 6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol.
What is the SMILES notation for 6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol?
The canonical SMILES for 6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol is O=S(=O)(NCCCCCCO)NCC(F)(F)F.
What is the InChIKey of 6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol?
The InChIKey is GTXLQQFNGBPAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O3S/c9-8(10,11)7-13-17(15,16)12-5-3-1-2-4-6-14/h12-14H,1-7H2.
What are the key properties of 6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol?
6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol has a molecular weight of 278.30 g/mol, XLogP of 0.53, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethylsulfamoylamino)hexan-1-ol is sourced from PubChem (CID 107847829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).