2-(trifluoromethyl)benzo[c]phenanthrene

C19H11F3 — CID 44623566

IUPAC2-(trifluoromethyl)benzo[c]phenanthrene
SMILESFC(F)(F)c1ccc2ccc3ccc4ccccc4c3c2c1
InChIInChI=1S/C19H11F3/c20-19(21,22)15-10-9-13-6-8-14-7-5-12-3-1-2-4-16(12)18(14)17(13)11-15/h1-11H
InChIKeyOLPPXLJNPQFASW-UHFFFAOYSA-N
MW296.29 g/mol
LogP6.16
Rot. Bonds

About 2-(trifluoromethyl)benzo[c]phenanthrene

2-(trifluoromethyl)benzo[c]phenanthrene (PubChem CID 44623566) has the molecular formula C19H11F3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(trifluoromethyl)benzo[c]phenanthrene.

Molecular Properties

Compound Name2-(trifluoromethyl)benzo[c]phenanthrene
PubChem CID44623566
Molecular FormulaC19H11F3
Molecular Weight296.29 g/mol
Exact Mass296.08
IUPAC Name2-(trifluoromethyl)benzo[c]phenanthrene
SMILESFC(F)(F)c1ccc2ccc3ccc4ccccc4c3c2c1
InChIInChI=1S/C19H11F3/c20-19(21,22)15-10-9-13-6-8-14-7-5-12-3-1-2-4-16(12)18(14)17(13)11-15/h1-11H
InChIKeyOLPPXLJNPQFASW-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.29
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)benzo[c]phenanthrene?
The IUPAC name of 2-(trifluoromethyl)benzo[c]phenanthrene (CID 44623566) is 2-(trifluoromethyl)benzo[c]phenanthrene.
What is the SMILES notation for 2-(trifluoromethyl)benzo[c]phenanthrene?
The canonical SMILES for 2-(trifluoromethyl)benzo[c]phenanthrene is FC(F)(F)c1ccc2ccc3ccc4ccccc4c3c2c1.
What is the InChIKey of 2-(trifluoromethyl)benzo[c]phenanthrene?
The InChIKey is OLPPXLJNPQFASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3/c20-19(21,22)15-10-9-13-6-8-14-7-5-12-3-1-2-4-16(12)18(14)17(13)11-15/h1-11H.
What are the key properties of 2-(trifluoromethyl)benzo[c]phenanthrene?
2-(trifluoromethyl)benzo[c]phenanthrene has a molecular weight of 296.29 g/mol, XLogP of 6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)benzo[c]phenanthrene is sourced from PubChem (CID 44623566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).