5-[(3,5-difluorophenyl)methoxy]pyrimidine

C11H8F2N2O — CID 175928368

IUPAC5-[(3,5-difluorophenyl)methoxy]pyrimidine
SMILESFc1cc(F)cc(COc2cncnc2)c1
InChIInChI=1S/C11H8F2N2O/c12-9-1-8(2-10(13)3-9)6-16-11-4-14-7-15-5-11/h1-5,7H,6H2
InChIKeyGCOFKEPIWPCUET-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.33
Rot. Bonds3

About 5-[(3,5-difluorophenyl)methoxy]pyrimidine

5-[(3,5-difluorophenyl)methoxy]pyrimidine (PubChem CID 175928368) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methoxy]pyrimidine
PubChem CID175928368
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name5-[(3,5-difluorophenyl)methoxy]pyrimidine
SMILESFc1cc(F)cc(COc2cncnc2)c1
InChIInChI=1S/C11H8F2N2O/c12-9-1-8(2-10(13)3-9)6-16-11-4-14-7-15-5-11/h1-5,7H,6H2
InChIKeyGCOFKEPIWPCUET-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methoxy]pyrimidine?
The IUPAC name of 5-[(3,5-difluorophenyl)methoxy]pyrimidine (CID 175928368) is 5-[(3,5-difluorophenyl)methoxy]pyrimidine.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methoxy]pyrimidine?
The canonical SMILES for 5-[(3,5-difluorophenyl)methoxy]pyrimidine is Fc1cc(F)cc(COc2cncnc2)c1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methoxy]pyrimidine?
The InChIKey is GCOFKEPIWPCUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-9-1-8(2-10(13)3-9)6-16-11-4-14-7-15-5-11/h1-5,7H,6H2.
What are the key properties of 5-[(3,5-difluorophenyl)methoxy]pyrimidine?
5-[(3,5-difluorophenyl)methoxy]pyrimidine has a molecular weight of 222.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methoxy]pyrimidine is sourced from PubChem (CID 175928368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).