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

C9H13F3N2O — CID 103367367

IUPAC3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile
SMILESN#CC(CNCC1CC(O)C1)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)7(3-13)5-14-4-6-1-8(15)2-6/h6-8,14-15H,1-2,4-5H2
InChIKeyHAIRVFIHWABZHX-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.05
Rot. Bonds4

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

3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile (PubChem CID 103367367) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile
PubChem CID103367367
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile
SMILESN#CC(CNCC1CC(O)C1)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)7(3-13)5-14-4-6-1-8(15)2-6/h6-8,14-15H,1-2,4-5H2
InChIKeyHAIRVFIHWABZHX-UHFFFAOYSA-N
XLogP1.05
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]propanenitrile
CID 103367314
3,3,3-trifluoro-2-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]propanenitrile
CID 103367626
3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]propanenitrile
CID 103367343
3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile
CID 103372187
N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide
CID 103367047
3-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclobutan-1-ol
CID 116501366
3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol
CID 103157965
2-[[(3-ethylcyclohexyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367326
3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile
CID 106100709
3,3,3-trifluoro-2-[(5-methylhexylamino)methyl]propanenitrile
CID 103367461
2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid
CID 66007247
3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile
CID 103367397

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile (CID 103367367) is 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile is N#CC(CNCC1CC(O)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile?
The InChIKey is HAIRVFIHWABZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)7(3-13)5-14-4-6-1-8(15)2-6/h6-8,14-15H,1-2,4-5H2.
What are the key properties of 3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile has a molecular weight of 222.21 g/mol, XLogP of 1.05, 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-hydroxycyclobutyl)methylamino]methyl]propanenitrile is sourced from PubChem (CID 103367367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).