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

C11H22F2N2O — CID 107484773

IUPAC2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCCC)CN(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O/c1-3-4-14-7-10(2)8-15(5-6-16)9-11(12)13/h11,14,16H,2-9H2,1H3
InChIKeyIJHJVCQSLVSGRY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.10
Rot. Bonds10

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

2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol (PubChem CID 107484773) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
PubChem CID107484773
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCCC)CN(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O/c1-3-4-14-7-10(2)8-15(5-6-16)9-11(12)13/h11,14,16H,2-9H2,1H3
InChIKeyIJHJVCQSLVSGRY-UHFFFAOYSA-N
XLogP1.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
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

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-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
CID 107484777
2-[2,2-Difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484778
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
CID 107484783

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol (CID 107484773) is 2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol is C=C(CNCCC)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
The InChIKey is IJHJVCQSLVSGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-3-4-14-7-10(2)8-15(5-6-16)9-11(12)13/h11,14,16H,2-9H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.10, 10 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-(propylaminomethyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 107484773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).