[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone

C19H12F4N2O2 — CID 134539254

IUPAC[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cnc(OCc2ccc(F)cc2)nc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F4N2O2/c20-16-6-4-12(5-7-16)11-27-18-24-9-14(10-25-18)17(26)13-2-1-3-15(8-13)19(21,22)23/h1-10H,11H2
InChIKeyPINFLIZHILCPDD-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.44
Rot. Bonds5

About [2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 134539254) has the molecular formula C19H12F4N2O2 and a molecular weight of 376.31 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID134539254
Molecular FormulaC19H12F4N2O2
Molecular Weight376.31 g/mol
Exact Mass376.08
IUPAC Name[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cnc(OCc2ccc(F)cc2)nc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F4N2O2/c20-16-6-4-12(5-7-16)11-27-18-24-9-14(10-25-18)17(26)13-2-1-3-15(8-13)19(21,22)23/h1-10H,11H2
InChIKeyPINFLIZHILCPDD-UHFFFAOYSA-N
XLogP4.44
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 134539254) is [2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cnc(OCc2ccc(F)cc2)nc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is PINFLIZHILCPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N2O2/c20-16-6-4-12(5-7-16)11-27-18-24-9-14(10-25-18)17(26)13-2-1-3-15(8-13)19(21,22)23/h1-10H,11H2.
What are the key properties of [2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 376.31 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134539254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).