3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile

C8H11F3N2O — CID 103367366

IUPAC3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile
SMILESN#CC(CNC1CC(O)C1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)5(3-12)4-13-6-1-7(14)2-6/h5-7,13-14H,1-2,4H2
InChIKeyZCFDSGXLSGLYSP-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.80
Rot. Bonds3

About 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile (PubChem CID 103367366) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile
PubChem CID103367366
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile
SMILESN#CC(CNC1CC(O)C1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)5(3-12)4-13-6-1-7(14)2-6/h5-7,13-14H,1-2,4H2
InChIKeyZCFDSGXLSGLYSP-UHFFFAOYSA-N
XLogP0.80
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.80
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-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile (CID 103367366) is 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile is N#CC(CNC1CC(O)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile?
The InChIKey is ZCFDSGXLSGLYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)5(3-12)4-13-6-1-7(14)2-6/h5-7,13-14H,1-2,4H2.
What are the key properties of 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)amino]methyl]propanenitrile has a molecular weight of 208.18 g/mol, XLogP of 0.80, 3 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-hydroxycyclobutyl)amino]methyl]propanenitrile is sourced from PubChem (CID 103367366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).