5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one

C14H13F2NO2 — CID 61382776

IUPAC5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3c(OC(F)F)cccc13)CCCC2
InChIInChI=1S/C14H13F2NO2/c15-14(16)19-11-7-3-5-9-12(11)17-10-6-2-1-4-8(10)13(9)18/h3,5,7,14H,1-2,4,6H2,(H,17,18)
InChIKeyWWTLBQNHLJMNIP-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.01
Rot. Bonds2

About 5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one

5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 61382776) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID61382776
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3c(OC(F)F)cccc13)CCCC2
InChIInChI=1S/C14H13F2NO2/c15-14(16)19-11-7-3-5-9-12(11)17-10-6-2-1-4-8(10)13(9)18/h3,5,7,14H,1-2,4,6H2,(H,17,18)
InChIKeyWWTLBQNHLJMNIP-UHFFFAOYSA-N
XLogP3.01
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 61382776) is 5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one is O=c1c2c([nH]c3c(OC(F)F)cccc13)CCCC2.
What is the InChIKey of 5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is WWTLBQNHLJMNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c15-14(16)19-11-7-3-5-9-12(11)17-10-6-2-1-4-8(10)13(9)18/h3,5,7,14H,1-2,4,6H2,(H,17,18).
What are the key properties of 5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one?
5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 265.26 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 61382776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).