2-[2-fluoropropyl(methyl)amino]acetonitrile

C6H11FN2 — CID 44521770

IUPAC2-[2-fluoropropyl(methyl)amino]acetonitrile
SMILESCC(F)CN(C)CC#N
InChIInChI=1S/C6H11FN2/c1-6(7)5-9(2)4-3-8/h6H,4-5H2,1-2H3
InChIKeyRJPTWTXPMGEIQR-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.80
Rot. Bonds3

About 2-[2-fluoropropyl(methyl)amino]acetonitrile

2-[2-fluoropropyl(methyl)amino]acetonitrile (PubChem CID 44521770) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-[2-fluoropropyl(methyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[2-fluoropropyl(methyl)amino]acetonitrile
PubChem CID44521770
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name2-[2-fluoropropyl(methyl)amino]acetonitrile
SMILESCC(F)CN(C)CC#N
InChIInChI=1S/C6H11FN2/c1-6(7)5-9(2)4-3-8/h6H,4-5H2,1-2H3
InChIKeyRJPTWTXPMGEIQR-UHFFFAOYSA-N
XLogP0.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoropropyl(methyl)amino]acetonitrile?
The IUPAC name of 2-[2-fluoropropyl(methyl)amino]acetonitrile (CID 44521770) is 2-[2-fluoropropyl(methyl)amino]acetonitrile.
What is the SMILES notation for 2-[2-fluoropropyl(methyl)amino]acetonitrile?
The canonical SMILES for 2-[2-fluoropropyl(methyl)amino]acetonitrile is CC(F)CN(C)CC#N.
What is the InChIKey of 2-[2-fluoropropyl(methyl)amino]acetonitrile?
The InChIKey is RJPTWTXPMGEIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-6(7)5-9(2)4-3-8/h6H,4-5H2,1-2H3.
What are the key properties of 2-[2-fluoropropyl(methyl)amino]acetonitrile?
2-[2-fluoropropyl(methyl)amino]acetonitrile has a molecular weight of 130.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoropropyl(methyl)amino]acetonitrile is sourced from PubChem (CID 44521770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).