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

C8H16F2N2O — CID 107484770

IUPAC2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
SMILESC=C(CN)CN(CCO)CC(F)F
InChIInChI=1S/C8H16F2N2O/c1-7(4-11)5-12(2-3-13)6-8(9)10/h8,13H,1-6,11H2
InChIKeyXKILMZJQDSIUOJ-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.06
Rot. Bonds7

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

2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484770) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484770
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
SMILESC=C(CN)CN(CCO)CC(F)F
InChIInChI=1S/C8H16F2N2O/c1-7(4-11)5-12(2-3-13)6-8(9)10/h8,13H,1-6,11H2
InChIKeyXKILMZJQDSIUOJ-UHFFFAOYSA-N
XLogP0.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol (CID 107484770) is 2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol is C=C(CN)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is XKILMZJQDSIUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-7(4-11)5-12(2-3-13)6-8(9)10/h8,13H,1-6,11H2.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol?
2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 194.22 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).