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

C7H13FN2 — CID 44521776

IUPAC3-[2-fluoropropyl(methyl)amino]propanenitrile
SMILESCC(F)CN(C)CCC#N
InChIInChI=1S/C7H13FN2/c1-7(8)6-10(2)5-3-4-9/h7H,3,5-6H2,1-2H3
InChIKeyWVHXTHNHRJXRJD-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.19
Rot. Bonds4

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

3-[2-fluoropropyl(methyl)amino]propanenitrile (PubChem CID 44521776) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-[2-fluoropropyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-fluoropropyl(methyl)amino]propanenitrile
PubChem CID44521776
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name3-[2-fluoropropyl(methyl)amino]propanenitrile
SMILESCC(F)CN(C)CCC#N
InChIInChI=1S/C7H13FN2/c1-7(8)6-10(2)5-3-4-9/h7H,3,5-6H2,1-2H3
InChIKeyWVHXTHNHRJXRJD-UHFFFAOYSA-N
XLogP1.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoropropyl(methyl)amino]propanenitrile?
The IUPAC name of 3-[2-fluoropropyl(methyl)amino]propanenitrile (CID 44521776) is 3-[2-fluoropropyl(methyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-fluoropropyl(methyl)amino]propanenitrile?
The canonical SMILES for 3-[2-fluoropropyl(methyl)amino]propanenitrile is CC(F)CN(C)CCC#N.
What is the InChIKey of 3-[2-fluoropropyl(methyl)amino]propanenitrile?
The InChIKey is WVHXTHNHRJXRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-7(8)6-10(2)5-3-4-9/h7H,3,5-6H2,1-2H3.
What are the key properties of 3-[2-fluoropropyl(methyl)amino]propanenitrile?
3-[2-fluoropropyl(methyl)amino]propanenitrile has a molecular weight of 144.19 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoropropyl(methyl)amino]propanenitrile is sourced from PubChem (CID 44521776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).