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

C9H20F2N2O — CID 107484772

IUPAC2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol
SMILESCNCC(C)CN(CCO)CC(F)F
InChIInChI=1S/C9H20F2N2O/c1-8(5-12-2)6-13(3-4-14)7-9(10)11/h8-9,12,14H,3-7H2,1-2H3
InChIKeyXIIKSJNHDBOFAS-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.40
Rot. Bonds8

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

2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol (PubChem CID 107484772) has the molecular formula C9H20F2N2O and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol
PubChem CID107484772
Molecular FormulaC9H20F2N2O
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Name2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol
SMILESCNCC(C)CN(CCO)CC(F)F
InChIInChI=1S/C9H20F2N2O/c1-8(5-12-2)6-13(3-4-14)7-9(10)11/h8-9,12,14H,3-7H2,1-2H3
InChIKeyXIIKSJNHDBOFAS-UHFFFAOYSA-N
XLogP0.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol
CID 107494982
N,2-dimethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426117
2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol
CID 107485262
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol
CID 107484971
2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486587
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 107486531
N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 107494500
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905
2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol
CID 107486535

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol (CID 107484772) is 2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol is CNCC(C)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol?
The InChIKey is XIIKSJNHDBOFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O/c1-8(5-12-2)6-13(3-4-14)7-9(10)11/h8-9,12,14H,3-7H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol has a molecular weight of 210.27 g/mol, XLogP of 0.40, 8 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-(methylamino)propyl]amino]ethanol is sourced from PubChem (CID 107484772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).