4-(difluoromethyl)-6-phenylpyrimidine

C11H8F2N2 — CID 118807214

IUPAC4-(difluoromethyl)-6-phenylpyrimidine
SMILESFC(F)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C11H8F2N2/c12-11(13)10-6-9(14-7-15-10)8-4-2-1-3-5-8/h1-7,11H
InChIKeyJDIAICIRDFMTFJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP3.08
Rot. Bonds2

About 4-(difluoromethyl)-6-phenylpyrimidine

4-(difluoromethyl)-6-phenylpyrimidine (PubChem CID 118807214) has the molecular formula C11H8F2N2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-phenylpyrimidine
PubChem CID118807214
Molecular FormulaC11H8F2N2
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name4-(difluoromethyl)-6-phenylpyrimidine
SMILESFC(F)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C11H8F2N2/c12-11(13)10-6-9(14-7-15-10)8-4-2-1-3-5-8/h1-7,11H
InChIKeyJDIAICIRDFMTFJ-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-diphenylpyrimidine;iridium(3+)
CID 160559843
4-(difluoromethyl)-6-(3-methylsulfinylphenyl)pyrimidine
CID 175069741
4-fluoro-6-phenylpyrimidine
CID 599976
4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 134179987
2-(difluoromethyl)-6-phenylpyridine
CID 151332992
4-(2,3-dimethylphenyl)-6-phenylpyrimidine
CID 140733760
4-chloro-6-(difluoromethyl)pyrimidine
CID 71743382
6-phenylpyrimidine-4-carboxamide
CID 12582963
4-phenyl-6-propylpyrimidine
CID 13153439
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 155006921
N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine
CID 1235439

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-phenylpyrimidine?
The IUPAC name of 4-(difluoromethyl)-6-phenylpyrimidine (CID 118807214) is 4-(difluoromethyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-6-phenylpyrimidine?
The canonical SMILES for 4-(difluoromethyl)-6-phenylpyrimidine is FC(F)c1cc(-c2ccccc2)ncn1.
What is the InChIKey of 4-(difluoromethyl)-6-phenylpyrimidine?
The InChIKey is JDIAICIRDFMTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2/c12-11(13)10-6-9(14-7-15-10)8-4-2-1-3-5-8/h1-7,11H.
What are the key properties of 4-(difluoromethyl)-6-phenylpyrimidine?
4-(difluoromethyl)-6-phenylpyrimidine has a molecular weight of 206.20 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-phenylpyrimidine is sourced from PubChem (CID 118807214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).