6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline

C19H20FN — CID 23433681

IUPAC6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline
SMILESCN1CC(C)(C)CC2=C3C=c4ccccc4=C3C(F)=CC21
InChIInChI=1S/C19H20FN/c1-19(2)10-15-14-8-12-6-4-5-7-13(12)18(14)16(20)9-17(15)21(3)11-19/h4-9,17H,10-11H2,1-3H3
InChIKeySLZOZLBYGQDQMR-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.53
Rot. Bonds

About 6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline

6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline (PubChem CID 23433681) has the molecular formula C19H20FN and a molecular weight of 281.37 g/mol. Its IUPAC name is 6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline.

Molecular Properties

Compound Name6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline
PubChem CID23433681
Molecular FormulaC19H20FN
Molecular Weight281.37 g/mol
Exact Mass281.16
IUPAC Name6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline
SMILESCN1CC(C)(C)CC2=C3C=c4ccccc4=C3C(F)=CC21
InChIInChI=1S/C19H20FN/c1-19(2)10-15-14-8-12-6-4-5-7-13(12)18(14)16(20)9-17(15)21(3)11-19/h4-9,17H,10-11H2,1-3H3
InChIKeySLZOZLBYGQDQMR-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline?
The IUPAC name of 6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline (CID 23433681) is 6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline.
What is the SMILES notation for 6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline?
The canonical SMILES for 6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline is CN1CC(C)(C)CC2=C3C=c4ccccc4=C3C(F)=CC21.
What is the InChIKey of 6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline?
The InChIKey is SLZOZLBYGQDQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN/c1-19(2)10-15-14-8-12-6-4-5-7-13(12)18(14)16(20)9-17(15)21(3)11-19/h4-9,17H,10-11H2,1-3H3.
What are the key properties of 6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline?
6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline has a molecular weight of 281.37 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline is sourced from PubChem (CID 23433681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).