3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile

C9H15F3N2O — CID 103367581

IUPAC3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile
SMILESCCCC(O)CNCC(C#N)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-2-3-8(15)6-14-5-7(4-13)9(10,11)12/h7-8,14-15H,2-3,5-6H2,1H3
InChIKeyQFCXDXNGGGNPRT-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.44
Rot. Bonds6

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

3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile (PubChem CID 103367581) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile
PubChem CID103367581
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile
SMILESCCCC(O)CNCC(C#N)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-2-3-8(15)6-14-5-7(4-13)9(10,11)12/h7-8,14-15H,2-3,5-6H2,1H3
InChIKeyQFCXDXNGGGNPRT-UHFFFAOYSA-N
XLogP1.44
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.44
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-[(2-hydroxypentylamino)methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile (CID 103367581) is 3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile is CCCC(O)CNCC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile?
The InChIKey is QFCXDXNGGGNPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-2-3-8(15)6-14-5-7(4-13)9(10,11)12/h7-8,14-15H,2-3,5-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile?
3,3,3-trifluoro-2-[(2-hydroxypentylamino)methyl]propanenitrile has a molecular weight of 224.23 g/mol, XLogP of 1.44, 6 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-[(2-hydroxypentylamino)methyl]propanenitrile is sourced from PubChem (CID 103367581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).