2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol

C10H18F3NO2 — CID 115633472

IUPAC2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol
SMILESC=CCN(CCO)CCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-2-4-14(6-7-15)5-3-8-16-9-10(11,12)13/h2,15H,1,3-9H2
InChIKeyAUZZOBZWBLDOJC-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.44
Rot. Bonds9

About 2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol

2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol (PubChem CID 115633472) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol
PubChem CID115633472
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol
SMILESC=CCN(CCO)CCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-2-4-14(6-7-15)5-3-8-16-9-10(11,12)13/h2,15H,1,3-9H2
InChIKeyAUZZOBZWBLDOJC-UHFFFAOYSA-N
XLogP1.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 115631860
2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol
CID 115631794
2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol
CID 113237465
4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
CID 87378089
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol
CID 87378049
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
CID 111565160
6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile
CID 106713825
2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 21097608
ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
CID 175390899

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol?
The IUPAC name of 2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol (CID 115633472) is 2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol.
What is the SMILES notation for 2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol?
The canonical SMILES for 2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol is C=CCN(CCO)CCCOCC(F)(F)F.
What is the InChIKey of 2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol?
The InChIKey is AUZZOBZWBLDOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-2-4-14(6-7-15)5-3-8-16-9-10(11,12)13/h2,15H,1,3-9H2.
What are the key properties of 2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol?
2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol has a molecular weight of 241.25 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol is sourced from PubChem (CID 115633472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).