2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol

C11H22F2N2O — CID 107484777

IUPAC2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
SMILESC=C(CNC(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O/c1-9(2)14-6-10(3)7-15(4-5-16)8-11(12)13/h9,11,14,16H,3-8H2,1-2H3
InChIKeySFJSGEVCXSORKW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.10
Rot. Bonds9

About 2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol

2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol (PubChem CID 107484777) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
PubChem CID107484777
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
SMILESC=C(CNC(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O/c1-9(2)14-6-10(3)7-15(4-5-16)8-11(12)13/h9,11,14,16H,3-8H2,1-2H3
InChIKeySFJSGEVCXSORKW-UHFFFAOYSA-N
XLogP1.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2,2-Difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol
CID 107484765
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-(methylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484778
2-[2,2-Difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol
CID 107484781
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-(Propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484789
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

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol (CID 107484777) is 2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol is C=C(CNC(C)C)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol?
The InChIKey is SFJSGEVCXSORKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-9(2)14-6-10(3)7-15(4-5-16)8-11(12)13/h9,11,14,16H,3-8H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.10, 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-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol is sourced from PubChem (CID 107484777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).