[(Z)-2-fluoro-3-methoxybut-1-enyl]benzene

C11H13FO — CID 166437188

IUPAC[(Z)-2-fluoro-3-methoxybut-1-enyl]benzene
SMILESCOC(C)/C(F)=C/c1ccccc1
InChIInChI=1S/C11H13FO/c1-9(13-2)11(12)8-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-
InChIKeyOUDASHMYUNTKNX-FLIBITNWSA-N
MW180.22 g/mol
LogP3.03
Rot. Bonds3

About [(Z)-2-fluoro-3-methoxybut-1-enyl]benzene

[(Z)-2-fluoro-3-methoxybut-1-enyl]benzene (PubChem CID 166437188) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is [(Z)-2-fluoro-3-methoxybut-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2-fluoro-3-methoxybut-1-enyl]benzene
PubChem CID166437188
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name[(Z)-2-fluoro-3-methoxybut-1-enyl]benzene
SMILESCOC(C)/C(F)=C/c1ccccc1
InChIInChI=1S/C11H13FO/c1-9(13-2)11(12)8-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-
InChIKeyOUDASHMYUNTKNX-FLIBITNWSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-fluoro-3-methoxybut-1-enyl]benzene?
The IUPAC name of [(Z)-2-fluoro-3-methoxybut-1-enyl]benzene (CID 166437188) is [(Z)-2-fluoro-3-methoxybut-1-enyl]benzene.
What is the SMILES notation for [(Z)-2-fluoro-3-methoxybut-1-enyl]benzene?
The canonical SMILES for [(Z)-2-fluoro-3-methoxybut-1-enyl]benzene is COC(C)/C(F)=C/c1ccccc1.
What is the InChIKey of [(Z)-2-fluoro-3-methoxybut-1-enyl]benzene?
The InChIKey is OUDASHMYUNTKNX-FLIBITNWSA-N. The full InChI is InChI=1S/C11H13FO/c1-9(13-2)11(12)8-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-.
What are the key properties of [(Z)-2-fluoro-3-methoxybut-1-enyl]benzene?
[(Z)-2-fluoro-3-methoxybut-1-enyl]benzene has a molecular weight of 180.22 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-fluoro-3-methoxybut-1-enyl]benzene is sourced from PubChem (CID 166437188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).