7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one

C13H11ClFNO — CID 61382713

IUPAC7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3c(F)cc(Cl)cc13)CCCC2
InChIInChI=1S/C13H11ClFNO/c14-7-5-9-12(10(15)6-7)16-11-4-2-1-3-8(11)13(9)17/h5-6H,1-4H2,(H,16,17)
InChIKeyKIYCPLXYGXLGJU-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.20
Rot. Bonds

About 7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one

7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 61382713) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID61382713
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3c(F)cc(Cl)cc13)CCCC2
InChIInChI=1S/C13H11ClFNO/c14-7-5-9-12(10(15)6-7)16-11-4-2-1-3-8(11)13(9)17/h5-6H,1-4H2,(H,16,17)
InChIKeyKIYCPLXYGXLGJU-UHFFFAOYSA-N
XLogP3.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 61382713) is 7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one is O=c1c2c([nH]c3c(F)cc(Cl)cc13)CCCC2.
What is the InChIKey of 7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is KIYCPLXYGXLGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-7-5-9-12(10(15)6-7)16-11-4-2-1-3-8(11)13(9)17/h5-6H,1-4H2,(H,16,17).
What are the key properties of 7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one?
7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 251.69 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 61382713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).