6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one

C15H10ClF2NO2 — CID 155513902

IUPAC6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one
SMILESO=c1c2ccc(OCCCl)cc2[nH]c2cc(F)cc(F)c12
InChIInChI=1S/C15H10ClF2NO2/c16-3-4-21-9-1-2-10-12(7-9)19-13-6-8(17)5-11(18)14(13)15(10)20/h1-2,5-7H,3-4H2,(H,19,20)
InChIKeyDNHWDDVRRSVMCY-UHFFFAOYSA-N
MW309.70 g/mol
LogP3.58
Rot. Bonds3

About 6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one

6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one (PubChem CID 155513902) has the molecular formula C15H10ClF2NO2 and a molecular weight of 309.70 g/mol. Its IUPAC name is 6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one.

Molecular Properties

Compound Name6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one
PubChem CID155513902
Molecular FormulaC15H10ClF2NO2
Molecular Weight309.70 g/mol
Exact Mass309.04
IUPAC Name6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one
SMILESO=c1c2ccc(OCCCl)cc2[nH]c2cc(F)cc(F)c12
InChIInChI=1S/C15H10ClF2NO2/c16-3-4-21-9-1-2-10-12(7-9)19-13-6-8(17)5-11(18)14(13)15(10)20/h1-2,5-7H,3-4H2,(H,19,20)
InChIKeyDNHWDDVRRSVMCY-UHFFFAOYSA-N
XLogP3.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one?
The IUPAC name of 6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one (CID 155513902) is 6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one.
What is the SMILES notation for 6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one?
The canonical SMILES for 6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one is O=c1c2ccc(OCCCl)cc2[nH]c2cc(F)cc(F)c12.
What is the InChIKey of 6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one?
The InChIKey is DNHWDDVRRSVMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO2/c16-3-4-21-9-1-2-10-12(7-9)19-13-6-8(17)5-11(18)14(13)15(10)20/h1-2,5-7H,3-4H2,(H,19,20).
What are the key properties of 6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one?
6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one has a molecular weight of 309.70 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethoxy)-1,3-difluoro-10H-acridin-9-one is sourced from PubChem (CID 155513902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).