4,5,6-trifluoro-2-(furan-2-yl)pyrimidine

C8H3F3N2O — CID 164652179

IUPAC4,5,6-trifluoro-2-(furan-2-yl)pyrimidine
SMILESFc1nc(-c2ccco2)nc(F)c1F
InChIInChI=1S/C8H3F3N2O/c9-5-6(10)12-8(13-7(5)11)4-2-1-3-14-4/h1-3H
InChIKeyIFJAFFWHYXHUJK-UHFFFAOYSA-N
MW200.12 g/mol
LogP2.15
Rot. Bonds1

About 4,5,6-trifluoro-2-(furan-2-yl)pyrimidine

4,5,6-trifluoro-2-(furan-2-yl)pyrimidine (PubChem CID 164652179) has the molecular formula C8H3F3N2O and a molecular weight of 200.12 g/mol. Its IUPAC name is 4,5,6-trifluoro-2-(furan-2-yl)pyrimidine.

Molecular Properties

Compound Name4,5,6-trifluoro-2-(furan-2-yl)pyrimidine
PubChem CID164652179
Molecular FormulaC8H3F3N2O
Molecular Weight200.12 g/mol
Exact Mass200.02
IUPAC Name4,5,6-trifluoro-2-(furan-2-yl)pyrimidine
SMILESFc1nc(-c2ccco2)nc(F)c1F
InChIInChI=1S/C8H3F3N2O/c9-5-6(10)12-8(13-7(5)11)4-2-1-3-14-4/h1-3H
InChIKeyIFJAFFWHYXHUJK-UHFFFAOYSA-N
XLogP2.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine
CID 164652077
2-(furan-2-yl)-1,3,5-triazine
CID 54453407
2-(2,3,4,5,6-pentafluorophenyl)furan
CID 14644888
2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine
CID 12870888
3-(furan-2-yl)-1,2,4-triazine
CID 11367075
5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole
CID 54258007
2-(furan-2-yl)-5,6-dimethylpyrimidin-4-amine
CID 62201956
2-(furan-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 62190628
ethane;2-(furan-2-yl)furan
CID 161366084
4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine
CID 63868616
3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole
CID 175630714
2-(furan-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320056

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trifluoro-2-(furan-2-yl)pyrimidine?
The IUPAC name of 4,5,6-trifluoro-2-(furan-2-yl)pyrimidine (CID 164652179) is 4,5,6-trifluoro-2-(furan-2-yl)pyrimidine.
What is the SMILES notation for 4,5,6-trifluoro-2-(furan-2-yl)pyrimidine?
The canonical SMILES for 4,5,6-trifluoro-2-(furan-2-yl)pyrimidine is Fc1nc(-c2ccco2)nc(F)c1F.
What is the InChIKey of 4,5,6-trifluoro-2-(furan-2-yl)pyrimidine?
The InChIKey is IFJAFFWHYXHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O/c9-5-6(10)12-8(13-7(5)11)4-2-1-3-14-4/h1-3H.
What are the key properties of 4,5,6-trifluoro-2-(furan-2-yl)pyrimidine?
4,5,6-trifluoro-2-(furan-2-yl)pyrimidine has a molecular weight of 200.12 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trifluoro-2-(furan-2-yl)pyrimidine is sourced from PubChem (CID 164652179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).