2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol

C12H24F2N2O — CID 107484771

IUPAC2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
SMILESC=C(CNC(C)(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C12H24F2N2O/c1-10(7-15-12(2,3)4)8-16(5-6-17)9-11(13)14/h11,15,17H,1,5-9H2,2-4H3
InChIKeyKKHLUTYFWKBJFS-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.49
Rot. Bonds8

About 2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol

2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484771) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484771
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC Name2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
SMILESC=C(CNC(C)(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C12H24F2N2O/c1-10(7-15-12(2,3)4)8-16(5-6-17)9-11(13)14/h11,15,17H,1,5-9H2,2-4H3
InChIKeyKKHLUTYFWKBJFS-UHFFFAOYSA-N
XLogP1.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.49
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-[3-(Tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol
CID 107484769
2-[2-(Aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
CID 107484770
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
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-[3-(Tert-butylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484793
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol (CID 107484771) is 2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol is C=C(CNC(C)(C)C)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is KKHLUTYFWKBJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O/c1-10(7-15-12(2,3)4)8-16(5-6-17)9-11(13)14/h11,15,17H,1,5-9H2,2-4H3.
What are the key properties of 2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol?
2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 250.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).