2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline

C15H8F4N2 — CID 141442332

IUPAC2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline
SMILESFc1ccc(C(F)(F)c2ncc3ccc(F)cc3n2)cc1
InChIInChI=1S/C15H8F4N2/c16-11-5-2-10(3-6-11)15(18,19)14-20-8-9-1-4-12(17)7-13(9)21-14/h1-8H
InChIKeyCMYLUBVSMZGHQF-UHFFFAOYSA-N
MW292.24 g/mol
LogP4.05
Rot. Bonds2

About 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline

2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline (PubChem CID 141442332) has the molecular formula C15H8F4N2 and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline.

Molecular Properties

Compound Name2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline
PubChem CID141442332
Molecular FormulaC15H8F4N2
Molecular Weight292.24 g/mol
Exact Mass292.06
IUPAC Name2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline
SMILESFc1ccc(C(F)(F)c2ncc3ccc(F)cc3n2)cc1
InChIInChI=1S/C15H8F4N2/c16-11-5-2-10(3-6-11)15(18,19)14-20-8-9-1-4-12(17)7-13(9)21-14/h1-8H
InChIKeyCMYLUBVSMZGHQF-UHFFFAOYSA-N
XLogP4.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline?
The IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline (CID 141442332) is 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline.
What is the SMILES notation for 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline?
The canonical SMILES for 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline is Fc1ccc(C(F)(F)c2ncc3ccc(F)cc3n2)cc1.
What is the InChIKey of 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline?
The InChIKey is CMYLUBVSMZGHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2/c16-11-5-2-10(3-6-11)15(18,19)14-20-8-9-1-4-12(17)7-13(9)21-14/h1-8H.
What are the key properties of 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline?
2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline has a molecular weight of 292.24 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline is sourced from PubChem (CID 141442332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).