4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine

C9H4ClF3N2O — CID 106768907

IUPAC4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(-c2ccoc2)n1
InChIInChI=1S/C9H4ClF3N2O/c10-7-3-6(5-1-2-16-4-5)14-8(15-7)9(11,12)13/h1-4H
InChIKeyGNIZLCIZBHITJL-UHFFFAOYSA-N
MW248.59 g/mol
LogP3.41
Rot. Bonds1

About 4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106768907) has the molecular formula C9H4ClF3N2O and a molecular weight of 248.59 g/mol. Its IUPAC name is 4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID106768907
Molecular FormulaC9H4ClF3N2O
Molecular Weight248.59 g/mol
Exact Mass248.00
IUPAC Name4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(-c2ccoc2)n1
InChIInChI=1S/C9H4ClF3N2O/c10-7-3-6(5-1-2-16-4-5)14-8(15-7)9(11,12)13/h1-4H
InChIKeyGNIZLCIZBHITJL-UHFFFAOYSA-N
XLogP3.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.59
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-6-furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10107625
N-2,6-difuran-3-yl)pyrimidin-4-yl)acetamide
CID 50940966
N-2,6-difuran-3-yl)pyrimidin-4-yl)propionamide
CID 50940980
N-2,6-difuran-3-yl)pyrimidin-4-yl)butyramide
CID 50941007
4-Chloro-6-(3-furyl)-2-methylpyrimidine
CID 65645017
4-Chloro-6-ethyl-2-(furan-3-yl)pyrimidine
CID 63204889
4-(Furan-3-yl)-2-[3-(3-methylphenyl)phenyl]-6-(trifluoromethyl)pyrimidine
CID 130289176
2,4-Dichloro-6-(5-fluorofuran-3-yl)pyrimidine
CID 146458949
2,4-Bis(furan-3-yl)pyrimidine
CID 46172976
4-(2,4-Dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine
CID 126962328
2-Chloro-4-(furan-3-yl)pyrimidine
CID 14745028
2-Chloro-4-(furan-3-yl)-6-phenylpyrimidine
CID 168489316

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine (CID 106768907) is 4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(Cl)cc(-c2ccoc2)n1.
What is the InChIKey of 4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is GNIZLCIZBHITJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O/c10-7-3-6(5-1-2-16-4-5)14-8(15-7)9(11,12)13/h1-4H.
What are the key properties of 4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 248.59 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(furan-3-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).