(2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile

C7H13FN2 — CID 143472940

IUPAC(2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile
SMILESC[C@H](F)CN(C)[C@@H](C)C#N
InChIInChI=1S/C7H13FN2/c1-6(8)5-10(3)7(2)4-9/h6-7H,5H2,1-3H3/t6-,7-/m0/s1
InChIKeyZLYOFBAQHHACRP-BQBZGAKWSA-N
MW144.19 g/mol
LogP1.19
Rot. Bonds3

About (2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile

(2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile (PubChem CID 143472940) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile
PubChem CID143472940
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile
SMILESC[C@H](F)CN(C)[C@@H](C)C#N
InChIInChI=1S/C7H13FN2/c1-6(8)5-10(3)7(2)4-9/h6-7H,5H2,1-3H3/t6-,7-/m0/s1
InChIKeyZLYOFBAQHHACRP-BQBZGAKWSA-N
XLogP1.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 (2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile?
The IUPAC name of (2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile (CID 143472940) is (2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile.
What is the SMILES notation for (2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile?
The canonical SMILES for (2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile is C[C@H](F)CN(C)[C@@H](C)C#N.
What is the InChIKey of (2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile?
The InChIKey is ZLYOFBAQHHACRP-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13FN2/c1-6(8)5-10(3)7(2)4-9/h6-7H,5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile?
(2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile has a molecular weight of 144.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-fluoropropyl]-methylamino]propanenitrile is sourced from PubChem (CID 143472940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).