2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol

C11H18F7NO3S — CID 86696852

IUPAC2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol
SMILESO=S(=O)(CCCCNCCO)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F7NO3S/c12-9(10(13,14)15,11(16,17)18)3-8-23(21,22)7-2-1-4-19-5-6-20/h19-20H,1-8H2
InChIKeyNKXODYSEHKTYMS-UHFFFAOYSA-N
MW377.32 g/mol
LogP1.99
Rot. Bonds10

About 2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol

2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol (PubChem CID 86696852) has the molecular formula C11H18F7NO3S and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol.

Molecular Properties

Compound Name2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol
PubChem CID86696852
Molecular FormulaC11H18F7NO3S
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Name2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol
SMILESO=S(=O)(CCCCNCCO)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F7NO3S/c12-9(10(13,14)15,11(16,17)18)3-8-23(21,22)7-2-1-4-19-5-6-20/h19-20H,1-8H2
InChIKeyNKXODYSEHKTYMS-UHFFFAOYSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-({3-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl]propyl}amino)ethan-1-ol
CID 86696851
2-({3-[(3,3,3-Trifluoropropyl)sulphonyl]propyl}amino)ethanol
CID 86696813
3-({3-[(3,3,3-Trifluoropropyl)sulphonyl]propyl}amino)propan-1-ol
CID 86696814
2-Methyl-1-({3-[(3,3,3-trifluoropropyl)sulphonyl]propyl}amino)propan-2-ol
CID 86696815
3-({3-[(4,4,5,5,5-Pentafluoropentyl)sulphonyl]propyl}amino)propan-1-ol
CID 86696816
2-Methyl-1-({3-[(4,4,5,5,5-pentafluoropentyl)sulphonyl]propyl}amino)propan-2-ol
CID 86696818
2-[4-(4,4,4-Trifluorobutylsulfonyl)butylamino]ethanol
CID 86696835
(2S)-1-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]propan-2-ol
CID 86696837
(2R)-1-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]propan-2-ol
CID 86696838
2-[3-(4,4,4-Trifluorobutylsulfonyl)propylamino]ethanol
CID 86696839
2-({3-[(4,4,5,5,5-Pentafluoropentyl)sulphonyl]propyl}amino)ethanol
CID 86696865
1-[4-(4,4,4-Trifluorobutylsulfonyl)butylamino]propan-2-ol
CID 88547182

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol?
The IUPAC name of 2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol (CID 86696852) is 2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol.
What is the SMILES notation for 2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol?
The canonical SMILES for 2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol is O=S(=O)(CCCCNCCO)CCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol?
The InChIKey is NKXODYSEHKTYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F7NO3S/c12-9(10(13,14)15,11(16,17)18)3-8-23(21,22)7-2-1-4-19-5-6-20/h19-20H,1-8H2.
What are the key properties of 2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol?
2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol has a molecular weight of 377.32 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol is sourced from PubChem (CID 86696852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).