1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene

C11H13FO — CID 145145083

IUPAC1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene
SMILESC/C=C(\C)COc1cccc(F)c1
InChIInChI=1S/C11H13FO/c1-3-9(2)8-13-11-6-4-5-10(12)7-11/h3-7H,8H2,1-2H3/b9-3+
InChIKeyOUSCTBJGCYJTNE-YCRREMRBSA-N
MW180.22 g/mol
LogP3.17
Rot. Bonds3

About 1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene

1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene (PubChem CID 145145083) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene
PubChem CID145145083
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene
SMILESC/C=C(\C)COc1cccc(F)c1
InChIInChI=1S/C11H13FO/c1-3-9(2)8-13-11-6-4-5-10(12)7-11/h3-7H,8H2,1-2H3/b9-3+
InChIKeyOUSCTBJGCYJTNE-YCRREMRBSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene?
The IUPAC name of 1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene (CID 145145083) is 1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene.
What is the SMILES notation for 1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene?
The canonical SMILES for 1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene is C/C=C(\C)COc1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene?
The InChIKey is OUSCTBJGCYJTNE-YCRREMRBSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-9(2)8-13-11-6-4-5-10(12)7-11/h3-7H,8H2,1-2H3/b9-3+.
What are the key properties of 1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene?
1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene has a molecular weight of 180.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene is sourced from PubChem (CID 145145083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).