2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol

C10H19F3N2O — CID 107484808

IUPAC2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(CNCC)CN(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-3-14-6-9(2)7-15(4-5-16)8-10(11,12)13/h14,16H,2-8H2,1H3
InChIKeyLFMXJBBGSHLEGQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.01
Rot. Bonds8

About 2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484808) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484808
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(CNCC)CN(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-3-14-6-9(2)7-15(4-5-16)8-10(11,12)13/h14,16H,2-8H2,1H3
InChIKeyLFMXJBBGSHLEGQ-UHFFFAOYSA-N
XLogP1.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloroprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485821
2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069561
2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484786
1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one
CID 107481284
2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070001
2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069826
2-[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 103865004
2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 115631860
2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484736
N-[2-(dimethylamino)ethyl]-N'-ethyl-N-methyl-2-methylidenepropane-1,3-diamine
CID 103070658
2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486903
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylpropanamide
CID 103864920

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484808) is 2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol is C=C(CNCC)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is LFMXJBBGSHLEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-3-14-6-9(2)7-15(4-5-16)8-10(11,12)13/h14,16H,2-8H2,1H3.
What are the key properties of 2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 240.27 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).