5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile

C11H20F2N2O — CID 107479696

IUPAC5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN(CCO)CC(F)F
InChIInChI=1S/C11H20F2N2O/c1-11(2,9-14)4-3-5-15(6-7-16)8-10(12)13/h10,16H,3-8H2,1-2H3
InChIKeyZLKPFUCZWLXBCY-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.88
Rot. Bonds8

About 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile

5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile (PubChem CID 107479696) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
PubChem CID107479696
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN(CCO)CC(F)F
InChIInChI=1S/C11H20F2N2O/c1-11(2,9-14)4-3-5-15(6-7-16)8-10(12)13/h10,16H,3-8H2,1-2H3
InChIKeyZLKPFUCZWLXBCY-UHFFFAOYSA-N
XLogP1.88
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile (CID 107479696) is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCN(CCO)CC(F)F.
What is the InChIKey of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is ZLKPFUCZWLXBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-11(2,9-14)4-3-5-15(6-7-16)8-10(12)13/h10,16H,3-8H2,1-2H3.
What are the key properties of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile?
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 234.29 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 107479696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).