2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine

C20H19F2N — CID 129012327

IUPAC2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=C2c3ccccc3CC2c2c(F)cc(F)cc21
InChIInChI=1S/C20H19F2N/c1-23(2)8-7-15-16-10-13(21)11-18(22)20(16)17-9-12-5-3-4-6-14(12)19(15)17/h3-6,10-11,17H,7-9H2,1-2H3
InChIKeyJKIOQCNXXURSHF-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.48
Rot. Bonds3

About 2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine

2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine (PubChem CID 129012327) has the molecular formula C20H19F2N and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine
PubChem CID129012327
Molecular FormulaC20H19F2N
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=C2c3ccccc3CC2c2c(F)cc(F)cc21
InChIInChI=1S/C20H19F2N/c1-23(2)8-7-15-16-10-13(21)11-18(22)20(16)17-9-12-5-3-4-6-14(12)19(15)17/h3-6,10-11,17H,7-9H2,1-2H3
InChIKeyJKIOQCNXXURSHF-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine (CID 129012327) is 2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine is CN(C)CCC1=C2c3ccccc3CC2c2c(F)cc(F)cc21.
What is the InChIKey of 2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine?
The InChIKey is JKIOQCNXXURSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N/c1-23(2)8-7-15-16-10-13(21)11-18(22)20(16)17-9-12-5-3-4-6-14(12)19(15)17/h3-6,10-11,17H,7-9H2,1-2H3.
What are the key properties of 2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine?
2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine has a molecular weight of 311.38 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-4b,5-dihydroindeno[2,1-a]inden-10-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 129012327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).