4-fluorophenanthrene

C14H9F — CID 23233891

IUPAC4-fluorophenanthrene
SMILESFc1cccc2ccc3ccccc3c12
InChIInChI=1S/C14H9F/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9H
InChIKeyUOXGQCABTNEVPI-UHFFFAOYSA-N
MW196.22 g/mol
LogP4.13
Rot. Bonds

About 4-fluorophenanthrene

4-fluorophenanthrene (PubChem CID 23233891) has the molecular formula C14H9F and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-fluorophenanthrene.

Molecular Properties

Compound Name4-fluorophenanthrene
PubChem CID23233891
Molecular FormulaC14H9F
Molecular Weight196.22 g/mol
Exact Mass196.07
IUPAC Name4-fluorophenanthrene
SMILESFc1cccc2ccc3ccccc3c12
InChIInChI=1S/C14H9F/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9H
InChIKeyUOXGQCABTNEVPI-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluorophenanthrene?
The IUPAC name of 4-fluorophenanthrene (CID 23233891) is 4-fluorophenanthrene.
What is the SMILES notation for 4-fluorophenanthrene?
The canonical SMILES for 4-fluorophenanthrene is Fc1cccc2ccc3ccccc3c12.
What is the InChIKey of 4-fluorophenanthrene?
The InChIKey is UOXGQCABTNEVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9H.
What are the key properties of 4-fluorophenanthrene?
4-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 4-fluorophenanthrene is sourced from PubChem (CID 23233891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).