3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C14H11ClF4N2O3 — CID 11428577

IUPAC3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl
InChIInChI=1S/C14H11ClF4N2O3/c1-6(2)24-10-4-9(8(16)3-7(10)15)21-12(22)5-11(14(17,18)19)20-13(21)23/h3-6H,1-2H3,(H,20,23)
InChIKeyYMJKZDZEVKFQKG-UHFFFAOYSA-N
MW366.70 g/mol
LogP3.12
Rot. Bonds3

About 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 11428577) has the molecular formula C14H11ClF4N2O3 and a molecular weight of 366.70 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID11428577
Molecular FormulaC14H11ClF4N2O3
Molecular Weight366.70 g/mol
Exact Mass366.04
IUPAC Name3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl
InChIInChI=1S/C14H11ClF4N2O3/c1-6(2)24-10-4-9(8(16)3-7(10)15)21-12(22)5-11(14(17,18)19)20-13(21)23/h3-6H,1-2H3,(H,20,23)
InChIKeyYMJKZDZEVKFQKG-UHFFFAOYSA-N
XLogP3.12
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 11428577) is 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is CC(C)Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl.
What is the InChIKey of 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is YMJKZDZEVKFQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF4N2O3/c1-6(2)24-10-4-9(8(16)3-7(10)15)21-12(22)5-11(14(17,18)19)20-13(21)23/h3-6H,1-2H3,(H,20,23).
What are the key properties of 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 366.70 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11428577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).