N,N-difluorotriazin-4-amine

C3H2F2N4 — CID 22411868

IUPACN,N-difluorotriazin-4-amine
SMILESFN(F)c1ccnnn1
InChIInChI=1S/C3H2F2N4/c4-9(5)3-1-2-6-8-7-3/h1-2H
InChIKeyOKJPPOJRBHKUND-UHFFFAOYSA-N
MW132.07 g/mol
LogP0.45
Rot. Bonds1

About N,N-difluorotriazin-4-amine

N,N-difluorotriazin-4-amine (PubChem CID 22411868) has the molecular formula C3H2F2N4 and a molecular weight of 132.07 g/mol. Its IUPAC name is N,N-difluorotriazin-4-amine.

Molecular Properties

Compound NameN,N-difluorotriazin-4-amine
PubChem CID22411868
Molecular FormulaC3H2F2N4
Molecular Weight132.07 g/mol
Exact Mass132.02
IUPAC NameN,N-difluorotriazin-4-amine
SMILESFN(F)c1ccnnn1
InChIInChI=1S/C3H2F2N4/c4-9(5)3-1-2-6-8-7-3/h1-2H
InChIKeyOKJPPOJRBHKUND-UHFFFAOYSA-N
XLogP0.45
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.07
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-difluorotriazin-4-amine?
The IUPAC name of N,N-difluorotriazin-4-amine (CID 22411868) is N,N-difluorotriazin-4-amine.
What is the SMILES notation for N,N-difluorotriazin-4-amine?
The canonical SMILES for N,N-difluorotriazin-4-amine is FN(F)c1ccnnn1.
What is the InChIKey of N,N-difluorotriazin-4-amine?
The InChIKey is OKJPPOJRBHKUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F2N4/c4-9(5)3-1-2-6-8-7-3/h1-2H.
What are the key properties of N,N-difluorotriazin-4-amine?
N,N-difluorotriazin-4-amine has a molecular weight of 132.07 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-difluorotriazin-4-amine is sourced from PubChem (CID 22411868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).