anisole;1,2-difluorobenzene

C13H12F2O — CID 158594805

IUPACanisole;1,2-difluorobenzene
SMILESCOc1ccccc1.Fc1ccccc1F
InChIInChI=1S/C7H8O.C6H4F2/c1-8-7-5-3-2-4-6-7;7-5-3-1-2-4-6(5)8/h2-6H,1H3;1-4H
InChIKeyHUWVUTVLXZKFOE-UHFFFAOYSA-N
MW222.23 g/mol
LogP3.66
Rot. Bonds1

About anisole;1,2-difluorobenzene

anisole;1,2-difluorobenzene (PubChem CID 158594805) has the molecular formula C13H12F2O and a molecular weight of 222.23 g/mol. Its IUPAC name is anisole;1,2-difluorobenzene.

Molecular Properties

Compound Nameanisole;1,2-difluorobenzene
PubChem CID158594805
Molecular FormulaC13H12F2O
Molecular Weight222.23 g/mol
Exact Mass222.09
IUPAC Nameanisole;1,2-difluorobenzene
SMILESCOc1ccccc1.Fc1ccccc1F
InChIInChI=1S/C7H8O.C6H4F2/c1-8-7-5-3-2-4-6-7;7-5-3-1-2-4-6(5)8/h2-6H,1H3;1-4H
InChIKeyHUWVUTVLXZKFOE-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of anisole;1,2-difluorobenzene?
The IUPAC name of anisole;1,2-difluorobenzene (CID 158594805) is anisole;1,2-difluorobenzene.
What is the SMILES notation for anisole;1,2-difluorobenzene?
The canonical SMILES for anisole;1,2-difluorobenzene is COc1ccccc1.Fc1ccccc1F.
What is the InChIKey of anisole;1,2-difluorobenzene?
The InChIKey is HUWVUTVLXZKFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H4F2/c1-8-7-5-3-2-4-6-7;7-5-3-1-2-4-6(5)8/h2-6H,1H3;1-4H.
What are the key properties of anisole;1,2-difluorobenzene?
anisole;1,2-difluorobenzene has a molecular weight of 222.23 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1,2-difluorobenzene is sourced from PubChem (CID 158594805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).