2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline

C20H12F3N — CID 59470271

IUPAC2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline
SMILESFC(F)(F)c1ccc(-c2cc3c(ccc4ccccc43)cn2)cc1
InChIInChI=1S/C20H12F3N/c21-20(22,23)16-9-7-14(8-10-16)19-11-18-15(12-24-19)6-5-13-3-1-2-4-17(13)18/h1-12H
InChIKeyCGKWUMXYNCOVKX-UHFFFAOYSA-N
MW323.32 g/mol
LogP6.07
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline

2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline (PubChem CID 59470271) has the molecular formula C20H12F3N and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline
PubChem CID59470271
Molecular FormulaC20H12F3N
Molecular Weight323.32 g/mol
Exact Mass323.09
IUPAC Name2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline
SMILESFC(F)(F)c1ccc(-c2cc3c(ccc4ccccc43)cn2)cc1
InChIInChI=1S/C20H12F3N/c21-20(22,23)16-9-7-14(8-10-16)19-11-18-15(12-24-19)6-5-13-3-1-2-4-17(13)18/h1-12H
InChIKeyCGKWUMXYNCOVKX-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.32
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine
CID 71733892
2-naphthalen-2-ylbenzo[f]isoquinoline
CID 59470192
3-[3,5-bis(trifluoromethyl)phenyl]isoquinoline
CID 138972935
3-phenanthren-3-ylbenzo[h]isoquinoline
CID 59470233
2-naphthalen-2-yl-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293608
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline
CID 59470260
2-[4-(trifluoromethyl)phenyl]-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293774
2-[4-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]benzo[f]isoquinoline
CID 140780616
3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
CID 169293894
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline (CID 59470271) is 2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline is FC(F)(F)c1ccc(-c2cc3c(ccc4ccccc43)cn2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline?
The InChIKey is CGKWUMXYNCOVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N/c21-20(22,23)16-9-7-14(8-10-16)19-11-18-15(12-24-19)6-5-13-3-1-2-4-17(13)18/h1-12H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline?
2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline has a molecular weight of 323.32 g/mol, XLogP of 6.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline is sourced from PubChem (CID 59470271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).