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

C12H15FO — CID 166438250

IUPAC[(Z)-2-fluoro-3-methoxypent-1-enyl]benzene
SMILESCCC(OC)/C(F)=C/c1ccccc1
InChIInChI=1S/C12H15FO/c1-3-12(14-2)11(13)9-10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3/b11-9-
InChIKeySWMQBSOKEIXHTQ-LUAWRHEFSA-N
MW194.25 g/mol
LogP3.42
Rot. Bonds4

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

[(Z)-2-fluoro-3-methoxypent-1-enyl]benzene (PubChem CID 166438250) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is [(Z)-2-fluoro-3-methoxypent-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2-fluoro-3-methoxypent-1-enyl]benzene
PubChem CID166438250
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name[(Z)-2-fluoro-3-methoxypent-1-enyl]benzene
SMILESCCC(OC)/C(F)=C/c1ccccc1
InChIInChI=1S/C12H15FO/c1-3-12(14-2)11(13)9-10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3/b11-9-
InChIKeySWMQBSOKEIXHTQ-LUAWRHEFSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.42
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-methoxypent-1-enyl]benzene?
The IUPAC name of [(Z)-2-fluoro-3-methoxypent-1-enyl]benzene (CID 166438250) is [(Z)-2-fluoro-3-methoxypent-1-enyl]benzene.
What is the SMILES notation for [(Z)-2-fluoro-3-methoxypent-1-enyl]benzene?
The canonical SMILES for [(Z)-2-fluoro-3-methoxypent-1-enyl]benzene is CCC(OC)/C(F)=C/c1ccccc1.
What is the InChIKey of [(Z)-2-fluoro-3-methoxypent-1-enyl]benzene?
The InChIKey is SWMQBSOKEIXHTQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H15FO/c1-3-12(14-2)11(13)9-10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3/b11-9-.
What are the key properties of [(Z)-2-fluoro-3-methoxypent-1-enyl]benzene?
[(Z)-2-fluoro-3-methoxypent-1-enyl]benzene has a molecular weight of 194.25 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-fluoro-3-methoxypent-1-enyl]benzene is sourced from PubChem (CID 166438250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).