3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one

C14H11ClF4N2O3 — CID 21270716

IUPAC3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one
SMILESCCCOc1nc(C(F)(F)F)cc(=O)n1-c1cc(O)c(Cl)cc1F
InChIInChI=1S/C14H11ClF4N2O3/c1-2-3-24-13-20-11(14(17,18)19)6-12(23)21(13)9-5-10(22)7(15)4-8(9)16/h4-6,22H,2-3H2,1H3
InChIKeyUWLATUXBCRHDRR-UHFFFAOYSA-N
MW366.70 g/mol
LogP3.54
Rot. Bonds4

About 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one

3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 21270716) has the molecular formula C14H11ClF4N2O3 and a molecular weight of 366.70 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID21270716
Molecular FormulaC14H11ClF4N2O3
Molecular Weight366.70 g/mol
Exact Mass366.04
IUPAC Name3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one
SMILESCCCOc1nc(C(F)(F)F)cc(=O)n1-c1cc(O)c(Cl)cc1F
InChIInChI=1S/C14H11ClF4N2O3/c1-2-3-24-13-20-11(14(17,18)19)6-12(23)21(13)9-5-10(22)7(15)4-8(9)16/h4-6,22H,2-3H2,1H3
InChIKeyUWLATUXBCRHDRR-UHFFFAOYSA-N
XLogP3.54
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.70
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one (CID 21270716) is 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one is CCCOc1nc(C(F)(F)F)cc(=O)n1-c1cc(O)c(Cl)cc1F.
What is the InChIKey of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is UWLATUXBCRHDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF4N2O3/c1-2-3-24-13-20-11(14(17,18)19)6-12(23)21(13)9-5-10(22)7(15)4-8(9)16/h4-6,22H,2-3H2,1H3.
What are the key properties of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one?
3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 366.70 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-propoxy-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 21270716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).