4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

C18H9ClF6N2O2 — CID 91545030

IUPAC4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(C=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C18H9ClF6N2O2/c19-13-5-1-9(17(20,21)22)7-12(13)14-6-4-11(29-14)3-2-10-8-15(18(23,24)25)27-16(28)26-10/h1-8H,(H,26,27,28)
InChIKeySWMACMRQUQXGPH-UHFFFAOYSA-N
MW434.72 g/mol
LogP5.89
Rot. Bonds3

About 4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 91545030) has the molecular formula C18H9ClF6N2O2 and a molecular weight of 434.72 g/mol. Its IUPAC name is 4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID91545030
Molecular FormulaC18H9ClF6N2O2
Molecular Weight434.72 g/mol
Exact Mass434.03
IUPAC Name4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(C=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C18H9ClF6N2O2/c19-13-5-1-9(17(20,21)22)7-12(13)14-6-4-11(29-14)3-2-10-8-15(18(23,24)25)27-16(28)26-10/h1-8H,(H,26,27,28)
InChIKeySWMACMRQUQXGPH-UHFFFAOYSA-N
XLogP5.89
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.72
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one (CID 91545030) is 4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is O=c1nc(C=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is SWMACMRQUQXGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF6N2O2/c19-13-5-1-9(17(20,21)22)7-12(13)14-6-4-11(29-14)3-2-10-8-15(18(23,24)25)27-16(28)26-10/h1-8H,(H,26,27,28).
What are the key properties of 4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one?
4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 434.72 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 91545030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).