4,5,6-trifluoro-2-(fluoromethyl)pyrimidine

C5H2F4N2 — CID 70491067

IUPAC4,5,6-trifluoro-2-(fluoromethyl)pyrimidine
SMILESFCc1nc(F)c(F)c(F)n1
InChIInChI=1S/C5H2F4N2/c6-1-2-10-4(8)3(7)5(9)11-2/h1H2
InChIKeyRYBRKQWIGGGISM-UHFFFAOYSA-N
MW166.08 g/mol
LogP1.36
Rot. Bonds1

About 4,5,6-trifluoro-2-(fluoromethyl)pyrimidine

4,5,6-trifluoro-2-(fluoromethyl)pyrimidine (PubChem CID 70491067) has the molecular formula C5H2F4N2 and a molecular weight of 166.08 g/mol. Its IUPAC name is 4,5,6-trifluoro-2-(fluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,5,6-trifluoro-2-(fluoromethyl)pyrimidine
PubChem CID70491067
Molecular FormulaC5H2F4N2
Molecular Weight166.08 g/mol
Exact Mass166.02
IUPAC Name4,5,6-trifluoro-2-(fluoromethyl)pyrimidine
SMILESFCc1nc(F)c(F)c(F)n1
InChIInChI=1S/C5H2F4N2/c6-1-2-10-4(8)3(7)5(9)11-2/h1H2
InChIKeyRYBRKQWIGGGISM-UHFFFAOYSA-N
XLogP1.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.08
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine
CID 163418712
2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethyl)pyridine
CID 15063668
4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 130738995
2,3,4,6,7,8-hexafluoro-1,5-naphthyridine
CID 146262522
2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxymethoxy]pyridine
CID 135291032
2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
CID 126561535
2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)tellanyl]pyridine
CID 139100618
2,3,4,5-tetrafluoro-6-methylpyridine
CID 15388342
2,3,6-trifluoro-4,5-dimethylpyridine
CID 20792086
ethane;2,3,4,6-tetrafluoro-5-methylpyridine
CID 170619957
2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine
CID 13303728
4,5-difluoro-2,6-dimethylpyrimidine
CID 122695499

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trifluoro-2-(fluoromethyl)pyrimidine?
The IUPAC name of 4,5,6-trifluoro-2-(fluoromethyl)pyrimidine (CID 70491067) is 4,5,6-trifluoro-2-(fluoromethyl)pyrimidine.
What is the SMILES notation for 4,5,6-trifluoro-2-(fluoromethyl)pyrimidine?
The canonical SMILES for 4,5,6-trifluoro-2-(fluoromethyl)pyrimidine is FCc1nc(F)c(F)c(F)n1.
What is the InChIKey of 4,5,6-trifluoro-2-(fluoromethyl)pyrimidine?
The InChIKey is RYBRKQWIGGGISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F4N2/c6-1-2-10-4(8)3(7)5(9)11-2/h1H2.
What are the key properties of 4,5,6-trifluoro-2-(fluoromethyl)pyrimidine?
4,5,6-trifluoro-2-(fluoromethyl)pyrimidine has a molecular weight of 166.08 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trifluoro-2-(fluoromethyl)pyrimidine is sourced from PubChem (CID 70491067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).