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

C10H20F2N2O — CID 107484785

IUPAC2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCC)CN(CCO)CC(F)F
InChIInChI=1S/C10H20F2N2O/c1-3-13-6-9(2)7-14(4-5-15)8-10(11)12/h10,13,15H,2-8H2,1H3
InChIKeyFDQIKVXBCUXQHJ-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.71
Rot. Bonds9

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

2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol (PubChem CID 107484785) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
PubChem CID107484785
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCC)CN(CCO)CC(F)F
InChIInChI=1S/C10H20F2N2O/c1-3-13-6-9(2)7-14(4-5-15)8-10(11)12/h10,13,15H,2-8H2,1H3
InChIKeyFDQIKVXBCUXQHJ-UHFFFAOYSA-N
XLogP0.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.71
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

1,1-Difluoro-3-(2-methylprop-2-enylamino)propan-2-ol
CID 105645143
2-[2,2-Difluoroethyl-[3-(ethylamino)-2-methylpropyl]amino]ethanol
CID 107484763
2-[2,2-Difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol
CID 107484764
2-[2,2-Difluoroethyl-[3-(ethylamino)propyl]amino]ethanol
CID 107484766
2-[2,2-Difluoroethyl-[3-(methylamino)propyl]amino]ethanol
CID 107484767
2-[2,2-Difluoroethyl-[3-(propylamino)propyl]amino]ethanol
CID 107484768
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-methyl-3-(methylamino)propyl]amino]ethanol
CID 107484772
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-[2,2-Difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484778

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol (CID 107484785) is 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol is C=C(CNCC)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol?
The InChIKey is FDQIKVXBCUXQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-3-13-6-9(2)7-14(4-5-15)8-10(11)12/h10,13,15H,2-8H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol has a molecular weight of 222.28 g/mol, XLogP of 0.71, 9 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-(ethylaminomethyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 107484785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).