3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile

C10H17F3N2O — CID 106190048

IUPAC3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile
SMILESCC(C)(O)C(C)(C)NCC(C#N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-8(2,9(3,4)16)15-6-7(5-14)10(11,12)13/h7,15-16H,6H2,1-4H3
InChIKeyLKUWZBRMAHTUIY-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.83
Rot. Bonds4

About 3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile (PubChem CID 106190048) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile
PubChem CID106190048
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile
SMILESCC(C)(O)C(C)(C)NCC(C#N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-8(2,9(3,4)16)15-6-7(5-14)10(11,12)13/h7,15-16H,6H2,1-4H3
InChIKeyLKUWZBRMAHTUIY-UHFFFAOYSA-N
XLogP1.83
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-Trifluoro-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]propanenitrile
CID 103367338
3,3,3-Trifluoro-2-[[(2-hydroxy-2-methylbutyl)amino]methyl]propanenitrile
CID 103367339
2-[[(2-Ethyl-2-hydroxybutyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367340
3,3,3-Trifluoro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]propanenitrile
CID 103367369
3,3,3-Trifluoro-2-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]propanenitrile
CID 103367590
2,3-Dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol
CID 103783163
3-(3-Fluoropropylamino)-2,3-dimethylbutan-2-ol
CID 103993408
3-(2-Fluoroethylamino)-2,3-dimethylbutan-2-ol
CID 103993444
2,3-Dimethyl-3-(2,2,2-trifluoroethylamino)butan-2-ol
CID 103993543
3-(2,2-Difluoroethylamino)-2,3-dimethylbutan-2-ol
CID 103993558
2,3-Dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol
CID 103993563
2-[[[3-(Dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile
CID 106147696

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile (CID 106190048) is 3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile is CC(C)(O)C(C)(C)NCC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile?
The InChIKey is LKUWZBRMAHTUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-8(2,9(3,4)16)15-6-7(5-14)10(11,12)13/h7,15-16H,6H2,1-4H3.
What are the key properties of 3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile has a molecular weight of 238.25 g/mol, XLogP of 1.83, 4 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-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]propanenitrile is sourced from PubChem (CID 106190048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).