9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine

C14H13ClFN — CID 103996089

IUPAC9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine
SMILESCc1cc2c(Cl)c3c(nc2cc1F)CCCC3
InChIInChI=1S/C14H13ClFN/c1-8-6-10-13(7-11(8)16)17-12-5-3-2-4-9(12)14(10)15/h6-7H,2-5H2,1H3
InChIKeyTZVNNACIWLCSQS-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.21
Rot. Bonds

About 9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine

9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine (PubChem CID 103996089) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine
PubChem CID103996089
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine
SMILESCc1cc2c(Cl)c3c(nc2cc1F)CCCC3
InChIInChI=1S/C14H13ClFN/c1-8-6-10-13(7-11(8)16)17-12-5-3-2-4-9(12)14(10)15/h6-7H,2-5H2,1H3
InChIKeyTZVNNACIWLCSQS-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine?
The IUPAC name of 9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine (CID 103996089) is 9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine is Cc1cc2c(Cl)c3c(nc2cc1F)CCCC3.
What is the InChIKey of 9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine?
The InChIKey is TZVNNACIWLCSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-8-6-10-13(7-11(8)16)17-12-5-3-2-4-9(12)14(10)15/h6-7H,2-5H2,1H3.
What are the key properties of 9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine?
9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine has a molecular weight of 249.72 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 103996089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).