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

C11H19F3N2O — CID 113339931

IUPAC5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-10(2,8-15)4-3-5-16(6-7-17)9-11(12,13)14/h17H,3-7,9H2,1-2H3
InChIKeyVCZUTBQABHTKLS-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.17
Rot. Bonds7

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

5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile (PubChem CID 113339931) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile
PubChem CID113339931
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-10(2,8-15)4-3-5-16(6-7-17)9-11(12,13)14/h17H,3-7,9H2,1-2H3
InChIKeyVCZUTBQABHTKLS-UHFFFAOYSA-N
XLogP2.17
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,3-Difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile
CID 103731617
5-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 103856782
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile
CID 103857835
4-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carbonitrile
CID 104709076
2,2-Dimethyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanenitrile
CID 105644834
5-[(3,3-Difluoro-2-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 105645253
2-[(5-Amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478888
2-[(5-Amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478939
2-[1-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile
CID 107479666
6-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylhexanenitrile
CID 107479668
4-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanenitrile
CID 107479674
5-[2,2-Difluoroethyl(2-hydroxyethyl)amino]pentanenitrile
CID 107479682

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile (CID 113339931) is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCN(CCO)CC(F)(F)F.
What is the InChIKey of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is VCZUTBQABHTKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-10(2,8-15)4-3-5-16(6-7-17)9-11(12,13)14/h17H,3-7,9H2,1-2H3.
What are the key properties of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile?
5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 252.28 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 113339931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).