2-(difluoromethyl)anthracene

C15H10F2 — CID 18443872

IUPAC2-(difluoromethyl)anthracene
SMILESFC(F)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H10F2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9,15H
InChIKeyKBNAVKVUALBJSO-UHFFFAOYSA-N
MW228.24 g/mol
LogP4.93
Rot. Bonds1

About 2-(difluoromethyl)anthracene

2-(difluoromethyl)anthracene (PubChem CID 18443872) has the molecular formula C15H10F2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(difluoromethyl)anthracene.

Molecular Properties

Compound Name2-(difluoromethyl)anthracene
PubChem CID18443872
Molecular FormulaC15H10F2
Molecular Weight228.24 g/mol
Exact Mass228.08
IUPAC Name2-(difluoromethyl)anthracene
SMILESFC(F)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H10F2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9,15H
InChIKeyKBNAVKVUALBJSO-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)anthracene?
The IUPAC name of 2-(difluoromethyl)anthracene (CID 18443872) is 2-(difluoromethyl)anthracene.
What is the SMILES notation for 2-(difluoromethyl)anthracene?
The canonical SMILES for 2-(difluoromethyl)anthracene is FC(F)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 2-(difluoromethyl)anthracene?
The InChIKey is KBNAVKVUALBJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9,15H.
What are the key properties of 2-(difluoromethyl)anthracene?
2-(difluoromethyl)anthracene has a molecular weight of 228.24 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)anthracene is sourced from PubChem (CID 18443872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).