9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline

C19H14F3N — CID 135026640

IUPAC9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESFC(F)(F)c1ccc2nc3c(c(-c4ccccc4)c2c1)CCC3
InChIInChI=1S/C19H14F3N/c20-19(21,22)13-9-10-17-15(11-13)18(12-5-2-1-3-6-12)14-7-4-8-16(14)23-17/h1-3,5-6,9-11H,4,7-8H2
InChIKeyBDLOVBYYJSVIMQ-UHFFFAOYSA-N
MW313.32 g/mol
LogP5.41
Rot. Bonds1

About 9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline

9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 135026640) has the molecular formula C19H14F3N and a molecular weight of 313.32 g/mol. Its IUPAC name is 9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID135026640
Molecular FormulaC19H14F3N
Molecular Weight313.32 g/mol
Exact Mass313.11
IUPAC Name9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESFC(F)(F)c1ccc2nc3c(c(-c4ccccc4)c2c1)CCC3
InChIInChI=1S/C19H14F3N/c20-19(21,22)13-9-10-17-15(11-13)18(12-5-2-1-3-6-12)14-7-4-8-16(14)23-17/h1-3,5-6,9-11H,4,7-8H2
InChIKeyBDLOVBYYJSVIMQ-UHFFFAOYSA-N
XLogP5.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.32
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 2566475
2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 122224204
4-phenyl-6-(trifluoromethyl)quinolin-3-amine
CID 10469344
4-phenyl-2,6-bis(trifluoromethyl)quinoline
CID 135018944
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
3,4-diphenyl-6-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]isoquinoline
CID 138974613
4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene
CID 91485242
2-nitro-4-phenyl-6-(trifluoromethyl)quinoline
CID 54105073
4-(7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine
CID 82451450
9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol
CID 3025608
9-benzyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 134913901
6-phenyl-1,2,3,4-tetrahydroacridin-9-amine
CID 19804321

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 135026640) is 9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline is FC(F)(F)c1ccc2nc3c(c(-c4ccccc4)c2c1)CCC3.
What is the InChIKey of 9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is BDLOVBYYJSVIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N/c20-19(21,22)13-9-10-17-15(11-13)18(12-5-2-1-3-6-12)14-7-4-8-16(14)23-17/h1-3,5-6,9-11H,4,7-8H2.
What are the key properties of 9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline?
9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 313.32 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 135026640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).