5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine

C19H11F3N2O — CID 54417190

IUPAC5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine
SMILESFc1ccc(C(F)(c2cncnc2)c2cc3ccccc3o2)c(F)c1
InChIInChI=1S/C19H11F3N2O/c20-14-5-6-15(16(21)8-14)19(22,13-9-23-11-24-10-13)18-7-12-3-1-2-4-17(12)25-18/h1-11H
InChIKeyVYGQWZFUUHXRLE-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.76
Rot. Bonds3

About 5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine

5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine (PubChem CID 54417190) has the molecular formula C19H11F3N2O and a molecular weight of 340.30 g/mol. Its IUPAC name is 5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine.

Molecular Properties

Compound Name5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine
PubChem CID54417190
Molecular FormulaC19H11F3N2O
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine
SMILESFc1ccc(C(F)(c2cncnc2)c2cc3ccccc3o2)c(F)c1
InChIInChI=1S/C19H11F3N2O/c20-14-5-6-15(16(21)8-14)19(22,13-9-23-11-24-10-13)18-7-12-3-1-2-4-17(12)25-18/h1-11H
InChIKeyVYGQWZFUUHXRLE-UHFFFAOYSA-N
XLogP4.76
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dibenzo[b,d]furan-2-yloxy)pyrimidine
CID 2564678
2-(4-Dibenzofuran-4-ylmethyl-piperazin-1-yl)-pyrimidine
CID 44304600
4-({[4''-(2-Aminopyrimidin-5-yl)-3''-fluorobiphenyl-2-yl]oxy}methyl)benzoic acid
CID 90319637
5-(1-Benzofuran-2-yl)pyrimidine-2,4-diamine
CID 44530976
2-Benzyloxy-6-decyl-furo[2,3-d]pyrimidine
CID 5273887
7-(4-Aminocyclohexyl)-5-(5-fluoro-1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 177652122
4-[5-(1-Benzofuran-3-yl)-4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 134831649
5-(1-Benzofuran-2-yl)pyrimidine
CID 10631732
2-Benzyloxy-6-hexyl-furo[2,3-d]pyrimidine
CID 5273893
5-(1-Benzofuran-2-yl)pyrimidin-2-amine
CID 50972411
2-[4-[2-(1-Benzofuran-5-yl)-3,3-difluoropropyl]piperidin-1-yl]pyrimidine
CID 166443220
5-(1-Benzofuran-2-yl)-7-prop-2-enylpyrrolo[2,3-d]pyrimidin-4-amine
CID 177654531

Frequently Asked Questions

What is the IUPAC name of 5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine?
The IUPAC name of 5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine (CID 54417190) is 5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine.
What is the SMILES notation for 5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine?
The canonical SMILES for 5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine is Fc1ccc(C(F)(c2cncnc2)c2cc3ccccc3o2)c(F)c1.
What is the InChIKey of 5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine?
The InChIKey is VYGQWZFUUHXRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O/c20-14-5-6-15(16(21)8-14)19(22,13-9-23-11-24-10-13)18-7-12-3-1-2-4-17(12)25-18/h1-11H.
What are the key properties of 5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine?
5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine has a molecular weight of 340.30 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-benzofuran-2-yl-(2,4-difluorophenyl)-fluoromethyl]pyrimidine is sourced from PubChem (CID 54417190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).