2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine

C13H13F2N — CID 135193106

IUPAC2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine
SMILESFC1=CC2CC3=CC(F)CC=C3NC2C=C1
InChIInChI=1S/C13H13F2N/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)16-12/h1,3-4,6-8,11-12,16H,2,5H2
InChIKeyXZLJJDBGMRETBY-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.94
Rot. Bonds

About 2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine

2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine (PubChem CID 135193106) has the molecular formula C13H13F2N and a molecular weight of 221.25 g/mol. Its IUPAC name is 2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine.

Molecular Properties

Compound Name2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine
PubChem CID135193106
Molecular FormulaC13H13F2N
Molecular Weight221.25 g/mol
Exact Mass221.10
IUPAC Name2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine
SMILESFC1=CC2CC3=CC(F)CC=C3NC2C=C1
InChIInChI=1S/C13H13F2N/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)16-12/h1,3-4,6-8,11-12,16H,2,5H2
InChIKeyXZLJJDBGMRETBY-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine?
The IUPAC name of 2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine (CID 135193106) is 2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine.
What is the SMILES notation for 2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine?
The canonical SMILES for 2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine is FC1=CC2CC3=CC(F)CC=C3NC2C=C1.
What is the InChIKey of 2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine?
The InChIKey is XZLJJDBGMRETBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)16-12/h1,3-4,6-8,11-12,16H,2,5H2.
What are the key properties of 2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine?
2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine has a molecular weight of 221.25 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-difluoro-2,3,8a,9,10,10a-hexahydroacridine is sourced from PubChem (CID 135193106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).