2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane

C7H13F3N6O2 — CID 160620125

IUPAC2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane
SMILESCOCF.CON(c1nc(N)nc(N)n1)C(F)F
InChIInChI=1S/C5H8F2N6O.C2H5FO/c1-14-13(2(6)7)5-11-3(8)10-4(9)12-5;1-4-2-3/h2H,1H3,(H4,8,9,10,11,12);2H2,1H3
InChIKeyRGPFTVUWWKIOJW-UHFFFAOYSA-N
MW270.21 g/mol
LogP0.19
Rot. Bonds4

About 2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane

2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane (PubChem CID 160620125) has the molecular formula C7H13F3N6O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane.

Molecular Properties

Compound Name2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane
PubChem CID160620125
Molecular FormulaC7H13F3N6O2
Molecular Weight270.21 g/mol
Exact Mass270.11
IUPAC Name2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane
SMILESCOCF.CON(c1nc(N)nc(N)n1)C(F)F
InChIInChI=1S/C5H8F2N6O.C2H5FO/c1-14-13(2(6)7)5-11-3(8)10-4(9)12-5;1-4-2-3/h2H,1H3,(H4,8,9,10,11,12);2H2,1H3
InChIKeyRGPFTVUWWKIOJW-UHFFFAOYSA-N
XLogP0.19
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane?
The IUPAC name of 2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane (CID 160620125) is 2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane.
What is the SMILES notation for 2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane?
The canonical SMILES for 2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane is COCF.CON(c1nc(N)nc(N)n1)C(F)F.
What is the InChIKey of 2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane?
The InChIKey is RGPFTVUWWKIOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N6O.C2H5FO/c1-14-13(2(6)7)5-11-3(8)10-4(9)12-5;1-4-2-3/h2H,1H3,(H4,8,9,10,11,12);2H2,1H3.
What are the key properties of 2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane?
2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane has a molecular weight of 270.21 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(difluoromethyl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine;fluoro(methoxy)methane is sourced from PubChem (CID 160620125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).