2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol

C10H22F2N2O — CID 107478881

IUPAC2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)(CN)CCN(CCO)CC(F)F
InChIInChI=1S/C10H22F2N2O/c1-10(2,8-13)3-4-14(5-6-15)7-9(11)12/h9,15H,3-8,13H2,1-2H3
InChIKeyDEZMFZGCLYOHEJ-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.92
Rot. Bonds8

About 2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol

2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478881) has the molecular formula C10H22F2N2O and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478881
Molecular FormulaC10H22F2N2O
Molecular Weight224.29 g/mol
Exact Mass224.17
IUPAC Name2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)(CN)CCN(CCO)CC(F)F
InChIInChI=1S/C10H22F2N2O/c1-10(2,8-13)3-4-14(5-6-15)7-9(11)12/h9,15H,3-8,13H2,1-2H3
InChIKeyDEZMFZGCLYOHEJ-UHFFFAOYSA-N
XLogP0.92
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol (CID 107478881) is 2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol is CC(C)(CN)CCN(CCO)CC(F)F.
What is the InChIKey of 2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is DEZMFZGCLYOHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F2N2O/c1-10(2,8-13)3-4-14(5-6-15)7-9(11)12/h9,15H,3-8,13H2,1-2H3.
What are the key properties of 2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol?
2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 224.29 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).