2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol

C8H16F3NO3S — CID 86696813

IUPAC2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol
SMILESO=S(=O)(CCCNCCO)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c9-8(10,11)2-7-16(14,15)6-1-3-12-4-5-13/h12-13H,1-7H2
InChIKeyXIQPKGUAVYVIRU-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.33
Rot. Bonds8

About 2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol

2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol (PubChem CID 86696813) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol
PubChem CID86696813
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol
SMILESO=S(=O)(CCCNCCO)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c9-8(10,11)2-7-16(14,15)6-1-3-12-4-5-13/h12-13H,1-7H2
InChIKeyXIQPKGUAVYVIRU-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.33
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
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
N-(2-Methoxyethyl)-3-[(4,4,5,5,5-pentafluoropentyl)sulphonyl]propane-1-amine
CID 86696819
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-[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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol?
The IUPAC name of 2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol (CID 86696813) is 2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol.
What is the SMILES notation for 2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol?
The canonical SMILES for 2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol is O=S(=O)(CCCNCCO)CCC(F)(F)F.
What is the InChIKey of 2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol?
The InChIKey is XIQPKGUAVYVIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c9-8(10,11)2-7-16(14,15)6-1-3-12-4-5-13/h12-13H,1-7H2.
What are the key properties of 2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol?
2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol has a molecular weight of 263.28 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]ethanol is sourced from PubChem (CID 86696813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).