2-(difluoromethoxy)-1,3,5-triazine

C4H3F2N3O — CID 70378207

IUPAC2-(difluoromethoxy)-1,3,5-triazine
SMILESFC(F)Oc1ncncn1
InChIInChI=1S/C4H3F2N3O/c5-3(6)10-4-8-1-7-2-9-4/h1-3H
InChIKeyMQULHDCKTHKCKJ-UHFFFAOYSA-N
MW147.08 g/mol
LogP0.47
Rot. Bonds2

About 2-(difluoromethoxy)-1,3,5-triazine

2-(difluoromethoxy)-1,3,5-triazine (PubChem CID 70378207) has the molecular formula C4H3F2N3O and a molecular weight of 147.08 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3,5-triazine
PubChem CID70378207
Molecular FormulaC4H3F2N3O
Molecular Weight147.08 g/mol
Exact Mass147.02
IUPAC Name2-(difluoromethoxy)-1,3,5-triazine
SMILESFC(F)Oc1ncncn1
InChIInChI=1S/C4H3F2N3O/c5-3(6)10-4-8-1-7-2-9-4/h1-3H
InChIKeyMQULHDCKTHKCKJ-UHFFFAOYSA-N
XLogP0.47
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.08
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3,5-triazine?
The IUPAC name of 2-(difluoromethoxy)-1,3,5-triazine (CID 70378207) is 2-(difluoromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-(difluoromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-(difluoromethoxy)-1,3,5-triazine is FC(F)Oc1ncncn1.
What is the InChIKey of 2-(difluoromethoxy)-1,3,5-triazine?
The InChIKey is MQULHDCKTHKCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2N3O/c5-3(6)10-4-8-1-7-2-9-4/h1-3H.
What are the key properties of 2-(difluoromethoxy)-1,3,5-triazine?
2-(difluoromethoxy)-1,3,5-triazine has a molecular weight of 147.08 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3,5-triazine is sourced from PubChem (CID 70378207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).