1,3,9-trifluorophenanthrene

C14H7F3 — CID 123184846

IUPAC1,3,9-trifluorophenanthrene
SMILESFc1cc(F)c2cc(F)c3ccccc3c2c1
InChIInChI=1S/C14H7F3/c15-8-5-11-9-3-1-2-4-10(9)14(17)7-12(11)13(16)6-8/h1-7H
InChIKeyIWFHTWDBBIUNOY-UHFFFAOYSA-N
MW232.20 g/mol
LogP4.41
Rot. Bonds

About 1,3,9-trifluorophenanthrene

1,3,9-trifluorophenanthrene (PubChem CID 123184846) has the molecular formula C14H7F3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1,3,9-trifluorophenanthrene.

Molecular Properties

Compound Name1,3,9-trifluorophenanthrene
PubChem CID123184846
Molecular FormulaC14H7F3
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name1,3,9-trifluorophenanthrene
SMILESFc1cc(F)c2cc(F)c3ccccc3c2c1
InChIInChI=1S/C14H7F3/c15-8-5-11-9-3-1-2-4-10(9)14(17)7-12(11)13(16)6-8/h1-7H
InChIKeyIWFHTWDBBIUNOY-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 54.41
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 1,3,9-trifluorophenanthrene?
The IUPAC name of 1,3,9-trifluorophenanthrene (CID 123184846) is 1,3,9-trifluorophenanthrene.
What is the SMILES notation for 1,3,9-trifluorophenanthrene?
The canonical SMILES for 1,3,9-trifluorophenanthrene is Fc1cc(F)c2cc(F)c3ccccc3c2c1.
What is the InChIKey of 1,3,9-trifluorophenanthrene?
The InChIKey is IWFHTWDBBIUNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3/c15-8-5-11-9-3-1-2-4-10(9)14(17)7-12(11)13(16)6-8/h1-7H.
What are the key properties of 1,3,9-trifluorophenanthrene?
1,3,9-trifluorophenanthrene has a molecular weight of 232.20 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,9-trifluorophenanthrene is sourced from PubChem (CID 123184846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).