3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile

C10H17F3N2O — CID 103367121

IUPAC3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile
SMILESCC(C)CC(CO)NCC(C#N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-7(2)3-9(6-16)15-5-8(4-14)10(11,12)13/h7-9,15-16H,3,5-6H2,1-2H3
InChIKeyUGGWUMCKDQSYJF-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.69
Rot. Bonds6

About 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile (PubChem CID 103367121) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile
PubChem CID103367121
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile
SMILESCC(C)CC(CO)NCC(C#N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-7(2)3-9(6-16)15-5-8(4-14)10(11,12)13/h7-9,15-16H,3,5-6H2,1-2H3
InChIKeyUGGWUMCKDQSYJF-UHFFFAOYSA-N
XLogP1.69
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile (CID 103367121) is 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile is CC(C)CC(CO)NCC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile?
The InChIKey is UGGWUMCKDQSYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7(2)3-9(6-16)15-5-8(4-14)10(11,12)13/h7-9,15-16H,3,5-6H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile has a molecular weight of 238.25 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanenitrile is sourced from PubChem (CID 103367121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).