4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine

C12H8F4N2O — CID 15590748

IUPAC4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ccccc2)nc(F)c1C(F)(F)F
InChIInChI=1S/C12H8F4N2O/c1-19-11-8(12(14,15)16)9(13)17-10(18-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyHTHGARSKAGVOPZ-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.31
Rot. Bonds2

About 4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine

4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine (PubChem CID 15590748) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine
PubChem CID15590748
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ccccc2)nc(F)c1C(F)(F)F
InChIInChI=1S/C12H8F4N2O/c1-19-11-8(12(14,15)16)9(13)17-10(18-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyHTHGARSKAGVOPZ-UHFFFAOYSA-N
XLogP3.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine (CID 15590748) is 4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine is COc1nc(-c2ccccc2)nc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is HTHGARSKAGVOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c1-19-11-8(12(14,15)16)9(13)17-10(18-11)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine?
4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 272.20 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2-phenyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 15590748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).