1-(2,2-difluoroethyl)anthracene

C16H12F2 — CID 58435964

IUPAC1-(2,2-difluoroethyl)anthracene
SMILESFC(F)Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C16H12F2/c17-16(18)10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9,16H,10H2
InChIKeyMLMXISXBZMYJKH-UHFFFAOYSA-N
MW242.27 g/mol
LogP4.80
Rot. Bonds2

About 1-(2,2-difluoroethyl)anthracene

1-(2,2-difluoroethyl)anthracene (PubChem CID 58435964) has the molecular formula C16H12F2 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)anthracene.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)anthracene
PubChem CID58435964
Molecular FormulaC16H12F2
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name1-(2,2-difluoroethyl)anthracene
SMILESFC(F)Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C16H12F2/c17-16(18)10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9,16H,10H2
InChIKeyMLMXISXBZMYJKH-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 54.80
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 1-(2,2-difluoroethyl)anthracene?
The IUPAC name of 1-(2,2-difluoroethyl)anthracene (CID 58435964) is 1-(2,2-difluoroethyl)anthracene.
What is the SMILES notation for 1-(2,2-difluoroethyl)anthracene?
The canonical SMILES for 1-(2,2-difluoroethyl)anthracene is FC(F)Cc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-(2,2-difluoroethyl)anthracene?
The InChIKey is MLMXISXBZMYJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2/c17-16(18)10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9,16H,10H2.
What are the key properties of 1-(2,2-difluoroethyl)anthracene?
1-(2,2-difluoroethyl)anthracene has a molecular weight of 242.27 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)anthracene is sourced from PubChem (CID 58435964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).