1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene

C12H13FO — CID 70006726

IUPAC1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene
SMILESC=Cc1ccccc1COC(F)C=C
InChIInChI=1S/C12H13FO/c1-3-10-7-5-6-8-11(10)9-14-12(13)4-2/h3-8,12H,1-2,9H2
InChIKeyKEDHPQMIXXAURI-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.33
Rot. Bonds5

About 1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene

1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene (PubChem CID 70006726) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene
PubChem CID70006726
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene
SMILESC=Cc1ccccc1COC(F)C=C
InChIInChI=1S/C12H13FO/c1-3-10-7-5-6-8-11(10)9-14-12(13)4-2/h3-8,12H,1-2,9H2
InChIKeyKEDHPQMIXXAURI-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene?
The IUPAC name of 1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene (CID 70006726) is 1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene.
What is the SMILES notation for 1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene?
The canonical SMILES for 1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene is C=Cc1ccccc1COC(F)C=C.
What is the InChIKey of 1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene?
The InChIKey is KEDHPQMIXXAURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-3-10-7-5-6-8-11(10)9-14-12(13)4-2/h3-8,12H,1-2,9H2.
What are the key properties of 1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene?
1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene has a molecular weight of 192.23 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(1-fluoroprop-2-enoxymethyl)benzene is sourced from PubChem (CID 70006726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).