2,9-difluorophenanthrene

C14H8F2 — CID 86174396

IUPAC2,9-difluorophenanthrene
SMILESFc1ccc2c(c1)cc(F)c1ccccc12
InChIInChI=1S/C14H8F2/c15-10-5-6-11-9(7-10)8-14(16)13-4-2-1-3-12(11)13/h1-8H
InChIKeyYBYHSQZKHWUDFV-UHFFFAOYSA-N
MW214.21 g/mol
LogP4.27
Rot. Bonds

About 2,9-difluorophenanthrene

2,9-difluorophenanthrene (PubChem CID 86174396) has the molecular formula C14H8F2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2,9-difluorophenanthrene.

Molecular Properties

Compound Name2,9-difluorophenanthrene
PubChem CID86174396
Molecular FormulaC14H8F2
Molecular Weight214.21 g/mol
Exact Mass214.06
IUPAC Name2,9-difluorophenanthrene
SMILESFc1ccc2c(c1)cc(F)c1ccccc12
InChIInChI=1S/C14H8F2/c15-10-5-6-11-9(7-10)8-14(16)13-4-2-1-3-12(11)13/h1-8H
InChIKeyYBYHSQZKHWUDFV-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 54.27
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 2,9-difluorophenanthrene?
The IUPAC name of 2,9-difluorophenanthrene (CID 86174396) is 2,9-difluorophenanthrene.
What is the SMILES notation for 2,9-difluorophenanthrene?
The canonical SMILES for 2,9-difluorophenanthrene is Fc1ccc2c(c1)cc(F)c1ccccc12.
What is the InChIKey of 2,9-difluorophenanthrene?
The InChIKey is YBYHSQZKHWUDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2/c15-10-5-6-11-9(7-10)8-14(16)13-4-2-1-3-12(11)13/h1-8H.
What are the key properties of 2,9-difluorophenanthrene?
2,9-difluorophenanthrene has a molecular weight of 214.21 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-difluorophenanthrene is sourced from PubChem (CID 86174396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).