5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine

C13H12F2N2 — CID 62203099

IUPAC5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3c(F)ccc(F)c13)CCCC2
InChIInChI=1S/C13H12F2N2/c14-8-5-6-9(15)13-11(8)12(16)7-3-1-2-4-10(7)17-13/h5-6H,1-4H2,(H2,16,17)
InChIKeyFULDMOWIXXRDPB-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.97
Rot. Bonds

About 5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine

5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 62203099) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID62203099
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3c(F)ccc(F)c13)CCCC2
InChIInChI=1S/C13H12F2N2/c14-8-5-6-9(15)13-11(8)12(16)7-3-1-2-4-10(7)17-13/h5-6H,1-4H2,(H2,16,17)
InChIKeyFULDMOWIXXRDPB-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine (CID 62203099) is 5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine is Nc1c2c(nc3c(F)ccc(F)c13)CCCC2.
What is the InChIKey of 5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is FULDMOWIXXRDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-8-5-6-9(15)13-11(8)12(16)7-3-1-2-4-10(7)17-13/h5-6H,1-4H2,(H2,16,17).
What are the key properties of 5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine?
5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 234.25 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 62203099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).