2-(3-fluoropropylamino)propanenitrile

C6H11FN2 — CID 129101667

IUPAC2-(3-fluoropropylamino)propanenitrile
SMILESCC(C#N)NCCCF
InChIInChI=1S/C6H11FN2/c1-6(5-8)9-4-2-3-7/h6,9H,2-4H2,1H3
InChIKeyVCBBDZCBAYZPAX-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.85
Rot. Bonds4

About 2-(3-fluoropropylamino)propanenitrile

2-(3-fluoropropylamino)propanenitrile (PubChem CID 129101667) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-(3-fluoropropylamino)propanenitrile.

Molecular Properties

Compound Name2-(3-fluoropropylamino)propanenitrile
PubChem CID129101667
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name2-(3-fluoropropylamino)propanenitrile
SMILESCC(C#N)NCCCF
InChIInChI=1S/C6H11FN2/c1-6(5-8)9-4-2-3-7/h6,9H,2-4H2,1H3
InChIKeyVCBBDZCBAYZPAX-UHFFFAOYSA-N
XLogP0.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylamino)propanenitrile?
The IUPAC name of 2-(3-fluoropropylamino)propanenitrile (CID 129101667) is 2-(3-fluoropropylamino)propanenitrile.
What is the SMILES notation for 2-(3-fluoropropylamino)propanenitrile?
The canonical SMILES for 2-(3-fluoropropylamino)propanenitrile is CC(C#N)NCCCF.
What is the InChIKey of 2-(3-fluoropropylamino)propanenitrile?
The InChIKey is VCBBDZCBAYZPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-6(5-8)9-4-2-3-7/h6,9H,2-4H2,1H3.
What are the key properties of 2-(3-fluoropropylamino)propanenitrile?
2-(3-fluoropropylamino)propanenitrile has a molecular weight of 130.17 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylamino)propanenitrile is sourced from PubChem (CID 129101667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).