9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine

C13H10ClF2N — CID 61382811

IUPAC9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine
SMILESFc1ccc(F)c2c(Cl)c3c(nc12)CCCC3
InChIInChI=1S/C13H10ClF2N/c14-12-7-3-1-2-4-10(7)17-13-9(16)6-5-8(15)11(12)13/h5-6H,1-4H2
InChIKeyIKFGFRIWIJARHN-UHFFFAOYSA-N
MW253.68 g/mol
LogP4.05
Rot. Bonds

About 9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine

9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine (PubChem CID 61382811) has the molecular formula C13H10ClF2N and a molecular weight of 253.68 g/mol. Its IUPAC name is 9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine
PubChem CID61382811
Molecular FormulaC13H10ClF2N
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine
SMILESFc1ccc(F)c2c(Cl)c3c(nc12)CCCC3
InChIInChI=1S/C13H10ClF2N/c14-12-7-3-1-2-4-10(7)17-13-9(16)6-5-8(15)11(12)13/h5-6H,1-4H2
InChIKeyIKFGFRIWIJARHN-UHFFFAOYSA-N
XLogP4.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine?
The IUPAC name of 9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine (CID 61382811) is 9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine is Fc1ccc(F)c2c(Cl)c3c(nc12)CCCC3.
What is the InChIKey of 9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine?
The InChIKey is IKFGFRIWIJARHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N/c14-12-7-3-1-2-4-10(7)17-13-9(16)6-5-8(15)11(12)13/h5-6H,1-4H2.
What are the key properties of 9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine?
9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine has a molecular weight of 253.68 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 61382811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).