8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline

C11H8F4N2O — CID 67619682

IUPAC8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline
SMILESFc1cccc2c(OCCC(F)(F)F)ncnc12
InChIInChI=1S/C11H8F4N2O/c12-8-3-1-2-7-9(8)16-6-17-10(7)18-5-4-11(13,14)15/h1-3,6H,4-5H2
InChIKeyCQMJODMKMZEVDT-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.10
Rot. Bonds3

About 8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline

8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline (PubChem CID 67619682) has the molecular formula C11H8F4N2O and a molecular weight of 260.19 g/mol. Its IUPAC name is 8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline.

Molecular Properties

Compound Name8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline
PubChem CID67619682
Molecular FormulaC11H8F4N2O
Molecular Weight260.19 g/mol
Exact Mass260.06
IUPAC Name8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline
SMILESFc1cccc2c(OCCC(F)(F)F)ncnc12
InChIInChI=1S/C11H8F4N2O/c12-8-3-1-2-7-9(8)16-6-17-10(7)18-5-4-11(13,14)15/h1-3,6H,4-5H2
InChIKeyCQMJODMKMZEVDT-UHFFFAOYSA-N
XLogP3.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline?
The IUPAC name of 8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline (CID 67619682) is 8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline.
What is the SMILES notation for 8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline?
The canonical SMILES for 8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline is Fc1cccc2c(OCCC(F)(F)F)ncnc12.
What is the InChIKey of 8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline?
The InChIKey is CQMJODMKMZEVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O/c12-8-3-1-2-7-9(8)16-6-17-10(7)18-5-4-11(13,14)15/h1-3,6H,4-5H2.
What are the key properties of 8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline?
8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline has a molecular weight of 260.19 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline is sourced from PubChem (CID 67619682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).