2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C17H9F3N2O2 — CID 135403460

IUPAC2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1oc1ccccc12
InChIInChI=1S/C17H9F3N2O2/c18-17(19,20)10-7-5-9(6-8-10)15-21-13-11-3-1-2-4-12(11)24-14(13)16(23)22-15/h1-8H,(H,21,22,23)
InChIKeyMFOXSTRHEAEKMI-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.36
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135403460) has the molecular formula C17H9F3N2O2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135403460
Molecular FormulaC17H9F3N2O2
Molecular Weight330.27 g/mol
Exact Mass330.06
IUPAC Name2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1oc1ccccc12
InChIInChI=1S/C17H9F3N2O2/c18-17(19,20)10-7-5-9(6-8-10)15-21-13-11-3-1-2-4-12(11)24-14(13)16(23)22-15/h1-8H,(H,21,22,23)
InChIKeyMFOXSTRHEAEKMI-UHFFFAOYSA-N
XLogP4.36
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135403460) is 2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1oc1ccccc12.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is MFOXSTRHEAEKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N2O2/c18-17(19,20)10-7-5-9(6-8-10)15-21-13-11-3-1-2-4-12(11)24-14(13)16(23)22-15/h1-8H,(H,21,22,23).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 330.27 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135403460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).