3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile

C7H9F3N2O — CID 103372187

IUPAC3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile
SMILESN#CC(CN1CC(O)C1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)5(1-11)2-12-3-6(13)4-12/h5-6,13H,2-4H2
InChIKeyGBBMGFOTWNCFJQ-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.36
Rot. Bonds2

About 3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile

3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile (PubChem CID 103372187) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile
PubChem CID103372187
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile
SMILESN#CC(CN1CC(O)C1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)5(1-11)2-12-3-6(13)4-12/h5-6,13H,2-4H2
InChIKeyGBBMGFOTWNCFJQ-UHFFFAOYSA-N
XLogP0.36
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 103371482
2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-3,3-dimethylbutanenitrile
CID 130986060
2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
CID 103371723
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3,3,3-trifluoropropanenitrile
CID 103367969
3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile
CID 103367367
1-(2-cyano-3,3,3-trifluoropropyl)-3-propylpiperidine-3-carboxylic acid
CID 103371544
1-(2-cyano-3,3,3-trifluoropropyl)-2,3-dihydroindole-3-carboxylic acid
CID 103371584
3-(3,4-dihydroxypyrrolidin-1-yl)-2-methylpropanenitrile
CID 106669465
3,3,3-trifluoro-2-[(2-oxo-1-pyridinyl)methyl]propanenitrile
CID 103368070
2-[4-(2-cyano-3,3,3-trifluoropropyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 103371583
2-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-3-methylbutanenitrile
CID 131060245
1-(fluoromethyl)azetidin-3-ol
CID 163501789

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile (CID 103372187) is 3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile is N#CC(CN1CC(O)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile?
The InChIKey is GBBMGFOTWNCFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)5(1-11)2-12-3-6(13)4-12/h5-6,13H,2-4H2.
What are the key properties of 3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile?
3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile has a molecular weight of 194.16 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile is sourced from PubChem (CID 103372187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).