2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol

C10H20F3NO3S — CID 86696835

IUPAC2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol
SMILESO=S(=O)(CCCCNCCO)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO3S/c11-10(12,13)4-3-9-18(16,17)8-2-1-5-14-6-7-15/h14-15H,1-9H2
InChIKeyRCMPUJUNOIOSSS-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.11
Rot. Bonds10

About 2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol

2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol (PubChem CID 86696835) has the molecular formula C10H20F3NO3S and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol.

Molecular Properties

Compound Name2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol
PubChem CID86696835
Molecular FormulaC10H20F3NO3S
Molecular Weight291.34 g/mol
Exact Mass291.11
IUPAC Name2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol
SMILESO=S(=O)(CCCCNCCO)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO3S/c11-10(12,13)4-3-9-18(16,17)8-2-1-5-14-6-7-15/h14-15H,1-9H2
InChIKeyRCMPUJUNOIOSSS-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
(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-[4-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol
CID 86696852
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
3-({3-[(RS)-(3,3,3-Trifluoropropyl)sulphinyl]propyl}amino)propan-1-ol
CID 89614910

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol?
The IUPAC name of 2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol (CID 86696835) is 2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol.
What is the SMILES notation for 2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol?
The canonical SMILES for 2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol is O=S(=O)(CCCCNCCO)CCCC(F)(F)F.
What is the InChIKey of 2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol?
The InChIKey is RCMPUJUNOIOSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO3S/c11-10(12,13)4-3-9-18(16,17)8-2-1-5-14-6-7-15/h14-15H,1-9H2.
What are the key properties of 2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol?
2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol has a molecular weight of 291.34 g/mol, XLogP of 1.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]ethanol is sourced from PubChem (CID 86696835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).