3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile

C9H13F3N2O2 — CID 106100709

IUPAC3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile
SMILESN#CC(CNCC1(O)CCOC1)C(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)7(3-13)4-14-5-8(15)1-2-16-6-8/h7,14-15H,1-2,4-6H2
InChIKeyDSXVOQRVYHXSRP-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.43
Rot. Bonds4

About 3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile

3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile (PubChem CID 106100709) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile
PubChem CID106100709
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile
SMILESN#CC(CNCC1(O)CCOC1)C(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)7(3-13)4-14-5-8(15)1-2-16-6-8/h7,14-15H,1-2,4-6H2
InChIKeyDSXVOQRVYHXSRP-UHFFFAOYSA-N
XLogP0.43
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]propanenitrile
CID 103367343
3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile
CID 114170116
3-[(2-methoxypropylamino)methyl]oxolan-3-ol
CID 106100785
3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
CID 106100620
3-[(but-3-ynylamino)methyl]oxolan-3-ol
CID 106100602
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
CID 114143445
3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile
CID 103367397
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100527
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100759
3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100524
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]oxolan-3-ol
CID 106099957
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol
CID 106100787

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile (CID 106100709) is 3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile is N#CC(CNCC1(O)CCOC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile?
The InChIKey is DSXVOQRVYHXSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c10-9(11,12)7(3-13)4-14-5-8(15)1-2-16-6-8/h7,14-15H,1-2,4-6H2.
What are the key properties of 3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile has a molecular weight of 238.21 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile is sourced from PubChem (CID 106100709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).