4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline

C19H14FN — CID 21497136

IUPAC4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline
SMILESFc1ccc(C2=NCCc3c2ccc2ccccc32)cc1
InChIInChI=1S/C19H14FN/c20-15-8-5-14(6-9-15)19-18-10-7-13-3-1-2-4-16(13)17(18)11-12-21-19/h1-10H,11-12H2
InChIKeyVDCAQYPMCFVSIN-UHFFFAOYSA-N
MW275.33 g/mol
LogP4.37
Rot. Bonds1

About 4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline

4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline (PubChem CID 21497136) has the molecular formula C19H14FN and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline
PubChem CID21497136
Molecular FormulaC19H14FN
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline
SMILESFc1ccc(C2=NCCc3c2ccc2ccccc32)cc1
InChIInChI=1S/C19H14FN/c20-15-8-5-14(6-9-15)19-18-10-7-13-3-1-2-4-16(13)17(18)11-12-21-19/h1-10H,11-12H2
InChIKeyVDCAQYPMCFVSIN-UHFFFAOYSA-N
XLogP4.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline?
The IUPAC name of 4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline (CID 21497136) is 4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline.
What is the SMILES notation for 4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline?
The canonical SMILES for 4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline is Fc1ccc(C2=NCCc3c2ccc2ccccc32)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline?
The InChIKey is VDCAQYPMCFVSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN/c20-15-8-5-14(6-9-15)19-18-10-7-13-3-1-2-4-16(13)17(18)11-12-21-19/h1-10H,11-12H2.
What are the key properties of 4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline?
4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline has a molecular weight of 275.33 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,2-dihydrobenzo[f]isoquinoline is sourced from PubChem (CID 21497136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).