4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine

C11H4ClF3N2O — CID 176860729

IUPAC4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1cccc2c1oc1c(Cl)nc(C(F)F)nc12
InChIInChI=1S/C11H4ClF3N2O/c12-9-8-6(16-11(17-9)10(14)15)4-2-1-3-5(13)7(4)18-8/h1-3,10H
InChIKeyQJSSEKLVPMBRLX-UHFFFAOYSA-N
MW272.61 g/mol
LogP4.11
Rot. Bonds1

About 4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine

4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 176860729) has the molecular formula C11H4ClF3N2O and a molecular weight of 272.61 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine
PubChem CID176860729
Molecular FormulaC11H4ClF3N2O
Molecular Weight272.61 g/mol
Exact Mass272.00
IUPAC Name4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1cccc2c1oc1c(Cl)nc(C(F)F)nc12
InChIInChI=1S/C11H4ClF3N2O/c12-9-8-6(16-11(17-9)10(14)15)4-2-1-3-5(13)7(4)18-8/h1-3,10H
InChIKeyQJSSEKLVPMBRLX-UHFFFAOYSA-N
XLogP4.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.61
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine (CID 176860729) is 4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine is Fc1cccc2c1oc1c(Cl)nc(C(F)F)nc12.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is QJSSEKLVPMBRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF3N2O/c12-9-8-6(16-11(17-9)10(14)15)4-2-1-3-5(13)7(4)18-8/h1-3,10H.
What are the key properties of 4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine?
4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 272.61 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 176860729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).