3-fluorophenanthrene

C14H9F — CID 529535

IUPAC3-fluorophenanthrene
SMILESFc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C14H9F/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H
InChIKeyDUSQHUWREPHMLT-UHFFFAOYSA-N
MW196.22 g/mol
LogP4.13
Rot. Bonds

About 3-fluorophenanthrene

3-fluorophenanthrene (PubChem CID 529535) has the molecular formula C14H9F and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-fluorophenanthrene.

Molecular Properties

Compound Name3-fluorophenanthrene
PubChem CID529535
Molecular FormulaC14H9F
Molecular Weight196.22 g/mol
Exact Mass196.07
IUPAC Name3-fluorophenanthrene
SMILESFc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C14H9F/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H
InChIKeyDUSQHUWREPHMLT-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 3-fluorophenanthrene?
The IUPAC name of 3-fluorophenanthrene (CID 529535) is 3-fluorophenanthrene.
What is the SMILES notation for 3-fluorophenanthrene?
The canonical SMILES for 3-fluorophenanthrene is Fc1ccc2ccc3ccccc3c2c1.
What is the InChIKey of 3-fluorophenanthrene?
The InChIKey is DUSQHUWREPHMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H.
What are the key properties of 3-fluorophenanthrene?
3-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 3-fluorophenanthrene is sourced from PubChem (CID 529535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).