1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone

C18H11F4N3O2 — CID 133319885

IUPAC1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1F
InChIInChI=1S/C18H11F4N3O2/c1-10(26)13-3-2-12(8-14(13)19)27-16-9-15(18(20,21)22)24-17(25-16)11-4-6-23-7-5-11/h2-9H,1H3
InChIKeyQUNCFKZSDSKVCV-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.69
Rot. Bonds4

About 1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone

1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone (PubChem CID 133319885) has the molecular formula C18H11F4N3O2 and a molecular weight of 377.30 g/mol. Its IUPAC name is 1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone
PubChem CID133319885
Molecular FormulaC18H11F4N3O2
Molecular Weight377.30 g/mol
Exact Mass377.08
IUPAC Name1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1F
InChIInChI=1S/C18H11F4N3O2/c1-10(26)13-3-2-12(8-14(13)19)27-16-9-15(18(20,21)22)24-17(25-16)11-4-6-23-7-5-11/h2-9H,1H3
InChIKeyQUNCFKZSDSKVCV-UHFFFAOYSA-N
XLogP4.69
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone?
The IUPAC name of 1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone (CID 133319885) is 1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone is CC(=O)c1ccc(Oc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone?
The InChIKey is QUNCFKZSDSKVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O2/c1-10(26)13-3-2-12(8-14(13)19)27-16-9-15(18(20,21)22)24-17(25-16)11-4-6-23-7-5-11/h2-9H,1H3.
What are the key properties of 1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone?
1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone has a molecular weight of 377.30 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone is sourced from PubChem (CID 133319885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).