4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine

C11H6ClFN2O — CID 166124722

IUPAC4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESFCc1nc(Cl)c2oc3ccccc3c2n1
InChIInChI=1S/C11H6ClFN2O/c12-11-10-9(14-8(5-13)15-11)6-3-1-2-4-7(6)16-10/h1-4H,5H2
InChIKeyGJACRRQTMLRBQT-UHFFFAOYSA-N
MW236.63 g/mol
LogP3.50
Rot. Bonds1

About 4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine

4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 166124722) has the molecular formula C11H6ClFN2O and a molecular weight of 236.63 g/mol. Its IUPAC name is 4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID166124722
Molecular FormulaC11H6ClFN2O
Molecular Weight236.63 g/mol
Exact Mass236.02
IUPAC Name4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESFCc1nc(Cl)c2oc3ccccc3c2n1
InChIInChI=1S/C11H6ClFN2O/c12-11-10-9(14-8(5-13)15-11)6-3-1-2-4-7(6)16-10/h1-4H,5H2
InChIKeyGJACRRQTMLRBQT-UHFFFAOYSA-N
XLogP3.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.63
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine (CID 166124722) is 4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine is FCc1nc(Cl)c2oc3ccccc3c2n1.
What is the InChIKey of 4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is GJACRRQTMLRBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O/c12-11-10-9(14-8(5-13)15-11)6-3-1-2-4-7(6)16-10/h1-4H,5H2.
What are the key properties of 4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine?
4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 236.63 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 166124722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).