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

C14H14FNO — CID 61382722

IUPAC5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESCc1cc(F)c2[nH]c3c(c(=O)c2c1)CCCC3
InChIInChI=1S/C14H14FNO/c1-8-6-10-13(11(15)7-8)16-12-5-3-2-4-9(12)14(10)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyFIFDLKGQYNXLOZ-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.85
Rot. Bonds

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

5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 61382722) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID61382722
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESCc1cc(F)c2[nH]c3c(c(=O)c2c1)CCCC3
InChIInChI=1S/C14H14FNO/c1-8-6-10-13(11(15)7-8)16-12-5-3-2-4-9(12)14(10)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyFIFDLKGQYNXLOZ-UHFFFAOYSA-N
XLogP2.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 61382722) is 5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one is Cc1cc(F)c2[nH]c3c(c(=O)c2c1)CCCC3.
What is the InChIKey of 5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is FIFDLKGQYNXLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-8-6-10-13(11(15)7-8)16-12-5-3-2-4-9(12)14(10)17/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 231.27 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 61382722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).