1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene

C11H13FO — CID 166470478

IUPAC1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene
SMILESCC/C(=C\OC)c1ccc(F)cc1
InChIInChI=1S/C11H13FO/c1-3-9(8-13-2)10-4-6-11(12)7-5-10/h4-8H,3H2,1-2H3/b9-8+
InChIKeyJALUBDLTPBJNHQ-CMDGGOBGSA-N
MW180.22 g/mol
LogP3.22
Rot. Bonds3

About 1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene

1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene (PubChem CID 166470478) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene
PubChem CID166470478
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene
SMILESCC/C(=C\OC)c1ccc(F)cc1
InChIInChI=1S/C11H13FO/c1-3-9(8-13-2)10-4-6-11(12)7-5-10/h4-8H,3H2,1-2H3/b9-8+
InChIKeyJALUBDLTPBJNHQ-CMDGGOBGSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 53.22
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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Related Compounds

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ethyl 4-fluorobenzoate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene (CID 166470478) is 1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene is CC/C(=C\OC)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene?
The InChIKey is JALUBDLTPBJNHQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-9(8-13-2)10-4-6-11(12)7-5-10/h4-8H,3H2,1-2H3/b9-8+.
What are the key properties of 1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene?
1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene has a molecular weight of 180.22 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene is sourced from PubChem (CID 166470478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).