6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline

C19H19F2N — CID 68945003

IUPAC6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline
SMILESCC1=CC(C)(C)NC2=C1CC1C(=Cc3c(F)ccc(F)c31)C2
InChIInChI=1S/C19H19F2N/c1-10-9-19(2,3)22-17-7-11-6-14-15(20)4-5-16(21)18(14)13(11)8-12(10)17/h4-6,9,13,22H,7-8H2,1-3H3
InChIKeyOHSNAERLGNKIRP-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.82
Rot. Bonds

About 6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline

6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline (PubChem CID 68945003) has the molecular formula C19H19F2N and a molecular weight of 299.36 g/mol. Its IUPAC name is 6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline.

Molecular Properties

Compound Name6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline
PubChem CID68945003
Molecular FormulaC19H19F2N
Molecular Weight299.36 g/mol
Exact Mass299.15
IUPAC Name6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline
SMILESCC1=CC(C)(C)NC2=C1CC1C(=Cc3c(F)ccc(F)c31)C2
InChIInChI=1S/C19H19F2N/c1-10-9-19(2,3)22-17-7-11-6-14-15(20)4-5-16(21)18(14)13(11)8-12(10)17/h4-6,9,13,22H,7-8H2,1-3H3
InChIKeyOHSNAERLGNKIRP-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline?
The IUPAC name of 6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline (CID 68945003) is 6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline.
What is the SMILES notation for 6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline?
The canonical SMILES for 6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline is CC1=CC(C)(C)NC2=C1CC1C(=Cc3c(F)ccc(F)c31)C2.
What is the InChIKey of 6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline?
The InChIKey is OHSNAERLGNKIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N/c1-10-9-19(2,3)22-17-7-11-6-14-15(20)4-5-16(21)18(14)13(11)8-12(10)17/h4-6,9,13,22H,7-8H2,1-3H3.
What are the key properties of 6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline?
6,9-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 4.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-difluoro-2,2,4-trimethyl-1,5,5a,11-tetrahydroindeno[1,2-g]quinoline is sourced from PubChem (CID 68945003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).