1-fluoro-4-(2-methoxyethenyl)benzene

C9H9FO — CID 573230

IUPAC1-fluoro-4-(2-methoxyethenyl)benzene
SMILESCOC=Cc1ccc(F)cc1
InChIInChI=1S/C9H9FO/c1-11-7-6-8-2-4-9(10)5-3-8/h2-7H,1H3
InChIKeyGGTXHFSLTYEKPC-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.44
Rot. Bonds2

About 1-fluoro-4-(2-methoxyethenyl)benzene

1-fluoro-4-(2-methoxyethenyl)benzene (PubChem CID 573230) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 1-fluoro-4-(2-methoxyethenyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2-methoxyethenyl)benzene
PubChem CID573230
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name1-fluoro-4-(2-methoxyethenyl)benzene
SMILESCOC=Cc1ccc(F)cc1
InChIInChI=1S/C9H9FO/c1-11-7-6-8-2-4-9(10)5-3-8/h2-7H,1H3
InChIKeyGGTXHFSLTYEKPC-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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-fluoro-4-(2-methoxyethenyl)benzene?
The IUPAC name of 1-fluoro-4-(2-methoxyethenyl)benzene (CID 573230) is 1-fluoro-4-(2-methoxyethenyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2-methoxyethenyl)benzene?
The canonical SMILES for 1-fluoro-4-(2-methoxyethenyl)benzene is COC=Cc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(2-methoxyethenyl)benzene?
The InChIKey is GGTXHFSLTYEKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c1-11-7-6-8-2-4-9(10)5-3-8/h2-7H,1H3.
What are the key properties of 1-fluoro-4-(2-methoxyethenyl)benzene?
1-fluoro-4-(2-methoxyethenyl)benzene has a molecular weight of 152.17 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methoxyethenyl)benzene is sourced from PubChem (CID 573230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).