4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine

C6H9F2N3 — CID 141284776

IUPAC4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine
SMILESCC(C)N1CN=C(F)N=C1F
InChIInChI=1S/C6H9F2N3/c1-4(2)11-3-9-5(7)10-6(11)8/h4H,3H2,1-2H3
InChIKeyZAJAFAWFBWEYLO-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.32
Rot. Bonds1

About 4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine

4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine (PubChem CID 141284776) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine.

Molecular Properties

Compound Name4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine
PubChem CID141284776
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine
SMILESCC(C)N1CN=C(F)N=C1F
InChIInChI=1S/C6H9F2N3/c1-4(2)11-3-9-5(7)10-6(11)8/h4H,3H2,1-2H3
InChIKeyZAJAFAWFBWEYLO-UHFFFAOYSA-N
XLogP1.32
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine?
The IUPAC name of 4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine (CID 141284776) is 4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine.
What is the SMILES notation for 4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine?
The canonical SMILES for 4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine is CC(C)N1CN=C(F)N=C1F.
What is the InChIKey of 4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine?
The InChIKey is ZAJAFAWFBWEYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3/c1-4(2)11-3-9-5(7)10-6(11)8/h4H,3H2,1-2H3.
What are the key properties of 4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine?
4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine has a molecular weight of 161.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine is sourced from PubChem (CID 141284776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).