3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile

C9H17FN2O — CID 81105593

IUPAC3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CCCF
InChIInChI=1S/C9H17FN2O/c1-13-9-8-12(6-2-4-10)7-3-5-11/h2-4,6-9H2,1H3
InChIKeyJXYCCZPURCLNJK-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.21
Rot. Bonds8

About 3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile

3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile (PubChem CID 81105593) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile
PubChem CID81105593
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CCCF
InChIInChI=1S/C9H17FN2O/c1-13-9-8-12(6-2-4-10)7-3-5-11/h2-4,6-9H2,1H3
InChIKeyJXYCCZPURCLNJK-UHFFFAOYSA-N
XLogP1.21
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile (CID 81105593) is 3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)CCCF.
What is the InChIKey of 3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile?
The InChIKey is JXYCCZPURCLNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-13-9-8-12(6-2-4-10)7-3-5-11/h2-4,6-9H2,1H3.
What are the key properties of 3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile?
3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile has a molecular weight of 188.25 g/mol, XLogP of 1.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoropropyl(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 81105593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).