2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol

C11H24F2N2O — CID 107484764

IUPAC2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol
SMILESCCCNCC(C)CN(CCO)CC(F)F
InChIInChI=1S/C11H24F2N2O/c1-3-4-14-7-10(2)8-15(5-6-16)9-11(12)13/h10-11,14,16H,3-9H2,1-2H3
InChIKeyZOXULCWZDBAJON-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.18
Rot. Bonds10

About 2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol

2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol (PubChem CID 107484764) has the molecular formula C11H24F2N2O and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol
PubChem CID107484764
Molecular FormulaC11H24F2N2O
Molecular Weight238.32 g/mol
Exact Mass238.19
IUPAC Name2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol
SMILESCCCNCC(C)CN(CCO)CC(F)F
InChIInChI=1S/C11H24F2N2O/c1-3-4-14-7-10(2)8-15(5-6-16)9-11(12)13/h10-11,14,16H,3-9H2,1-2H3
InChIKeyZOXULCWZDBAJON-UHFFFAOYSA-N
XLogP1.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-3-(isopentylamino)propan-2-ol
CID 61529702
3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol
CID 63002018
2-[[3-[Bis(trifluoromethyl)amino]-2,2,3,3-tetrafluoropropyl]amino]ethanol
CID 130272743
3,3-Difluoro-1-(2-methylpropylamino)butan-2-ol
CID 161229803
2-[Methyl-[5,5,5-trifluoro-4-methyl-3-(methylamino)pentyl]amino]ethanol
CID 172334686
2-((3-(Dimethylamino)-2,2-dimethylpropyl)amino)ethanol
CID 3020016
2-[(4-Amino-1,1,1-trifluorobutan-2-yl)-pentan-3-ylamino]ethanol
CID 54993859
1-(Propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55011610
1-(Propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55011611
1-(Propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55011658
1-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(propylamino)propan-2-ol
CID 55011659
1-(Diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60710703

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol (CID 107484764) is 2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol is CCCNCC(C)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol?
The InChIKey is ZOXULCWZDBAJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24F2N2O/c1-3-4-14-7-10(2)8-15(5-6-16)9-11(12)13/h10-11,14,16H,3-9H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-methyl-3-(propylamino)propyl]amino]ethanol has a molecular weight of 238.32 g/mol, XLogP of 1.18, 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-methyl-3-(propylamino)propyl]amino]ethanol is sourced from PubChem (CID 107484764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).