4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile

C10H18F2N2O — CID 107479674

IUPAC4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN(CCO)CC(F)F
InChIInChI=1S/C10H18F2N2O/c1-10(2,8-13)3-4-14(5-6-15)7-9(11)12/h9,15H,3-7H2,1-2H3
InChIKeyCANLSKABMWXOBY-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.49
Rot. Bonds7

About 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile (PubChem CID 107479674) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile
PubChem CID107479674
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN(CCO)CC(F)F
InChIInChI=1S/C10H18F2N2O/c1-10(2,8-13)3-4-14(5-6-15)7-9(11)12/h9,15H,3-7H2,1-2H3
InChIKeyCANLSKABMWXOBY-UHFFFAOYSA-N
XLogP1.49
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile (CID 107479674) is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCN(CCO)CC(F)F.
What is the InChIKey of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile?
The InChIKey is CANLSKABMWXOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-10(2,8-13)3-4-14(5-6-15)7-9(11)12/h9,15H,3-7H2,1-2H3.
What are the key properties of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile?
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile has a molecular weight of 220.26 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 107479674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).