2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol

C9H18F2N2O — CID 107484778

IUPAC2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNC)CN(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O/c1-8(5-12-2)6-13(3-4-14)7-9(10)11/h9,12,14H,1,3-7H2,2H3
InChIKeyIFYYUUPUMGISNQ-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.32
Rot. Bonds8

About 2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol

2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol (PubChem CID 107484778) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
PubChem CID107484778
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNC)CN(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O/c1-8(5-12-2)6-13(3-4-14)7-9(10)11/h9,12,14H,1,3-7H2,2H3
InChIKeyIFYYUUPUMGISNQ-UHFFFAOYSA-N
XLogP0.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.32
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-Methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103856784
2-[2-(Aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
CID 107484770
2-[2-[(Tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
CID 107484771
2-[2,2-Difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484773
2-[2,2-Difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
CID 107484777
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
CID 107484783
2-[2,2-Difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484785
2-[2-(Aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484794
2-[2-[(Tert-butylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484795
2-[2-[(Propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484800
2-[2-(Methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484801
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484806

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol (CID 107484778) is 2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol is C=C(CNC)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
The InChIKey is IFYYUUPUMGISNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-8(5-12-2)6-13(3-4-14)7-9(10)11/h9,12,14H,1,3-7H2,2H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol has a molecular weight of 208.25 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 107484778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).