1-ethenoxy-2-fluoro-3-methylbenzene

C9H9FO — CID 107657650

IUPAC1-ethenoxy-2-fluoro-3-methylbenzene
SMILESC=COc1cccc(C)c1F
InChIInChI=1S/C9H9FO/c1-3-11-8-6-4-5-7(2)9(8)10/h3-6H,1H2,2H3
InChIKeyIJTVXOXKFZTEED-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.66
Rot. Bonds2

About 1-ethenoxy-2-fluoro-3-methylbenzene

1-ethenoxy-2-fluoro-3-methylbenzene (PubChem CID 107657650) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 1-ethenoxy-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-ethenoxy-2-fluoro-3-methylbenzene
PubChem CID107657650
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name1-ethenoxy-2-fluoro-3-methylbenzene
SMILESC=COc1cccc(C)c1F
InChIInChI=1S/C9H9FO/c1-3-11-8-6-4-5-7(2)9(8)10/h3-6H,1H2,2H3
InChIKeyIJTVXOXKFZTEED-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-fluoro-3-methylbenzene?
The IUPAC name of 1-ethenoxy-2-fluoro-3-methylbenzene (CID 107657650) is 1-ethenoxy-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-ethenoxy-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-ethenoxy-2-fluoro-3-methylbenzene is C=COc1cccc(C)c1F.
What is the InChIKey of 1-ethenoxy-2-fluoro-3-methylbenzene?
The InChIKey is IJTVXOXKFZTEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c1-3-11-8-6-4-5-7(2)9(8)10/h3-6H,1H2,2H3.
What are the key properties of 1-ethenoxy-2-fluoro-3-methylbenzene?
1-ethenoxy-2-fluoro-3-methylbenzene has a molecular weight of 152.17 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-fluoro-3-methylbenzene is sourced from PubChem (CID 107657650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).