1-fluoro-7-propylphenanthrene

C17H15F — CID 141032936

IUPAC1-fluoro-7-propylphenanthrene
SMILESCCCc1ccc2c(ccc3c(F)cccc32)c1
InChIInChI=1S/C17H15F/c1-2-4-12-7-9-14-13(11-12)8-10-16-15(14)5-3-6-17(16)18/h3,5-11H,2,4H2,1H3
InChIKeyAXJQVNWZBKSPMH-UHFFFAOYSA-N
MW238.30 g/mol
LogP5.08
Rot. Bonds2

About 1-fluoro-7-propylphenanthrene

1-fluoro-7-propylphenanthrene (PubChem CID 141032936) has the molecular formula C17H15F and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-fluoro-7-propylphenanthrene.

Molecular Properties

Compound Name1-fluoro-7-propylphenanthrene
PubChem CID141032936
Molecular FormulaC17H15F
Molecular Weight238.30 g/mol
Exact Mass238.12
IUPAC Name1-fluoro-7-propylphenanthrene
SMILESCCCc1ccc2c(ccc3c(F)cccc32)c1
InChIInChI=1S/C17H15F/c1-2-4-12-7-9-14-13(11-12)8-10-16-15(14)5-3-6-17(16)18/h3,5-11H,2,4H2,1H3
InChIKeyAXJQVNWZBKSPMH-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.30
LogP ≤ 55.08
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 1-fluoro-7-propylphenanthrene?
The IUPAC name of 1-fluoro-7-propylphenanthrene (CID 141032936) is 1-fluoro-7-propylphenanthrene.
What is the SMILES notation for 1-fluoro-7-propylphenanthrene?
The canonical SMILES for 1-fluoro-7-propylphenanthrene is CCCc1ccc2c(ccc3c(F)cccc32)c1.
What is the InChIKey of 1-fluoro-7-propylphenanthrene?
The InChIKey is AXJQVNWZBKSPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F/c1-2-4-12-7-9-14-13(11-12)8-10-16-15(14)5-3-6-17(16)18/h3,5-11H,2,4H2,1H3.
What are the key properties of 1-fluoro-7-propylphenanthrene?
1-fluoro-7-propylphenanthrene has a molecular weight of 238.30 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-7-propylphenanthrene is sourced from PubChem (CID 141032936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).