5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline

C19H19F2N — CID 68943839

IUPAC5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline
SMILESCC1=CC(C)(C)NC2=C1C(F)C1C(=Cc3cc(F)ccc31)C2
InChIInChI=1S/C19H19F2N/c1-10-9-19(2,3)22-15-8-12-6-11-7-13(20)4-5-14(11)17(12)18(21)16(10)15/h4-7,9,17-18,22H,8H2,1-3H3
InChIKeySLZHBSKUCUMXEF-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.63
Rot. Bonds

About 5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline

5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline (PubChem CID 68943839) has the molecular formula C19H19F2N and a molecular weight of 299.36 g/mol. Its IUPAC name is 5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline.

Molecular Properties

Compound Name5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline
PubChem CID68943839
Molecular FormulaC19H19F2N
Molecular Weight299.36 g/mol
Exact Mass299.15
IUPAC Name5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline
SMILESCC1=CC(C)(C)NC2=C1C(F)C1C(=Cc3cc(F)ccc31)C2
InChIInChI=1S/C19H19F2N/c1-10-9-19(2,3)22-15-8-12-6-11-7-13(20)4-5-14(11)17(12)18(21)16(10)15/h4-7,9,17-18,22H,8H2,1-3H3
InChIKeySLZHBSKUCUMXEF-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline?
The IUPAC name of 5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline (CID 68943839) is 5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline.
What is the SMILES notation for 5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline?
The canonical SMILES for 5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline is CC1=CC(C)(C)NC2=C1C(F)C1C(=Cc3cc(F)ccc31)C2.
What is the InChIKey of 5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline?
The InChIKey is SLZHBSKUCUMXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N/c1-10-9-19(2,3)22-15-8-12-6-11-7-13(20)4-5-14(11)17(12)18(21)16(10)15/h4-7,9,17-18,22H,8H2,1-3H3.
What are the key properties of 5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline?
5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline has a molecular weight of 299.36 g/mol, XLogP of 4.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline is sourced from PubChem (CID 68943839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).