6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine

C13H12F2N2 — CID 62203448

IUPAC6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3cc(F)c(F)cc13)CCCC2
InChIInChI=1S/C13H12F2N2/c14-9-5-8-12(6-10(9)15)17-11-4-2-1-3-7(11)13(8)16/h5-6H,1-4H2,(H2,16,17)
InChIKeyXGUNAVCOECBFSG-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.97
Rot. Bonds

About 6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine

6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 62203448) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID62203448
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3cc(F)c(F)cc13)CCCC2
InChIInChI=1S/C13H12F2N2/c14-9-5-8-12(6-10(9)15)17-11-4-2-1-3-7(11)13(8)16/h5-6H,1-4H2,(H2,16,17)
InChIKeyXGUNAVCOECBFSG-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 6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine (CID 62203448) is 6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine is Nc1c2c(nc3cc(F)c(F)cc13)CCCC2.
What is the InChIKey of 6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is XGUNAVCOECBFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-9-5-8-12(6-10(9)15)17-11-4-2-1-3-7(11)13(8)16/h5-6H,1-4H2,(H2,16,17).
What are the key properties of 6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine?
6,7-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 6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 62203448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).