1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C18H11F4N3O2 — CID 58318859

IUPAC1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)n1)c1cc(F)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H11F4N3O2/c19-12-4-11(5-14(6-12)27-15-8-23-10-24-9-15)16(26)7-13-2-1-3-17(25-13)18(20,21)22/h1-6,8-10H,7H2
InChIKeyBQVMTQQREQHDSO-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.25
Rot. Bonds5

About 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone

1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 58318859) has the molecular formula C18H11F4N3O2 and a molecular weight of 377.30 g/mol. Its IUPAC name is 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID58318859
Molecular FormulaC18H11F4N3O2
Molecular Weight377.30 g/mol
Exact Mass377.08
IUPAC Name1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)n1)c1cc(F)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H11F4N3O2/c19-12-4-11(5-14(6-12)27-15-8-23-10-24-9-15)16(26)7-13-2-1-3-17(25-13)18(20,21)22/h1-6,8-10H,7H2
InChIKeyBQVMTQQREQHDSO-UHFFFAOYSA-N
XLogP4.25
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318837
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone
CID 58318884
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone
CID 147632074
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 149081483
1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)
CID 158496788
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;3-[2-(4-fluoro-2-pyridinyl)acetyl]-5-pyrimidin-5-yloxybenzonitrile;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-1,3-oxazol-2-yl)ethanone
CID 159619945
3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-methyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 159213971
1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone
CID 123892434
2-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
6-chloro-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 149127210
1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone
CID 105108919

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 58318859) is 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cccc(C(F)(F)F)n1)c1cc(F)cc(Oc2cncnc2)c1.
What is the InChIKey of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is BQVMTQQREQHDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O2/c19-12-4-11(5-14(6-12)27-15-8-23-10-24-9-15)16(26)7-13-2-1-3-17(25-13)18(20,21)22/h1-6,8-10H,7H2.
What are the key properties of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 377.30 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 58318859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).