1-fluorophenanthrene

C14H9F — CID 529531

IUPAC1-fluorophenanthrene
SMILESFc1cccc2c1ccc1ccccc12
InChIInChI=1S/C14H9F/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H
InChIKeyCNWURRWLFUQFDT-UHFFFAOYSA-N
MW196.22 g/mol
LogP4.13
Rot. Bonds

About 1-fluorophenanthrene

1-fluorophenanthrene (PubChem CID 529531) has the molecular formula C14H9F and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-fluorophenanthrene.

Molecular Properties

Compound Name1-fluorophenanthrene
PubChem CID529531
Molecular FormulaC14H9F
Molecular Weight196.22 g/mol
Exact Mass196.07
IUPAC Name1-fluorophenanthrene
SMILESFc1cccc2c1ccc1ccccc12
InChIInChI=1S/C14H9F/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H
InChIKeyCNWURRWLFUQFDT-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluorophenanthrene 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 1-fluorophenanthrene?
The IUPAC name of 1-fluorophenanthrene (CID 529531) is 1-fluorophenanthrene.
What is the SMILES notation for 1-fluorophenanthrene?
The canonical SMILES for 1-fluorophenanthrene is Fc1cccc2c1ccc1ccccc12.
What is the InChIKey of 1-fluorophenanthrene?
The InChIKey is CNWURRWLFUQFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H.
What are the key properties of 1-fluorophenanthrene?
1-fluorophenanthrene has a molecular weight of 196.22 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorophenanthrene is sourced from PubChem (CID 529531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).