4-(difluoromethoxy)-5-phenylpyrimidine

C11H8F2N2O — CID 118801517

IUPAC4-(difluoromethoxy)-5-phenylpyrimidine
SMILESFC(F)Oc1ncncc1-c1ccccc1
InChIInChI=1S/C11H8F2N2O/c12-11(13)16-10-9(6-14-7-15-10)8-4-2-1-3-5-8/h1-7,11H
InChIKeyCWDBFMXEGORHOQ-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.74
Rot. Bonds3

About 4-(difluoromethoxy)-5-phenylpyrimidine

4-(difluoromethoxy)-5-phenylpyrimidine (PubChem CID 118801517) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-phenylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-phenylpyrimidine
PubChem CID118801517
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name4-(difluoromethoxy)-5-phenylpyrimidine
SMILESFC(F)Oc1ncncc1-c1ccccc1
InChIInChI=1S/C11H8F2N2O/c12-11(13)16-10-9(6-14-7-15-10)8-4-2-1-3-5-8/h1-7,11H
InChIKeyCWDBFMXEGORHOQ-UHFFFAOYSA-N
XLogP2.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-phenylpyrimidine?
The IUPAC name of 4-(difluoromethoxy)-5-phenylpyrimidine (CID 118801517) is 4-(difluoromethoxy)-5-phenylpyrimidine.
What is the SMILES notation for 4-(difluoromethoxy)-5-phenylpyrimidine?
The canonical SMILES for 4-(difluoromethoxy)-5-phenylpyrimidine is FC(F)Oc1ncncc1-c1ccccc1.
What is the InChIKey of 4-(difluoromethoxy)-5-phenylpyrimidine?
The InChIKey is CWDBFMXEGORHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-11(13)16-10-9(6-14-7-15-10)8-4-2-1-3-5-8/h1-7,11H.
What are the key properties of 4-(difluoromethoxy)-5-phenylpyrimidine?
4-(difluoromethoxy)-5-phenylpyrimidine has a molecular weight of 222.19 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-phenylpyrimidine is sourced from PubChem (CID 118801517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).