1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene

C12H11FO — CID 102460195

IUPAC1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene
SMILESCOC/C=C\C#Cc1ccc(F)cc1
InChIInChI=1S/C12H11FO/c1-14-10-4-2-3-5-11-6-8-12(13)9-7-11/h2,4,6-9H,10H2,1H3/b4-2-
InChIKeyCWHWSCWRUAOXIT-RQOWECAXSA-N
MW190.22 g/mol
LogP2.38
Rot. Bonds2

About 1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene

1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene (PubChem CID 102460195) has the molecular formula C12H11FO and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene
PubChem CID102460195
Molecular FormulaC12H11FO
Molecular Weight190.22 g/mol
Exact Mass190.08
IUPAC Name1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene
SMILESCOC/C=C\C#Cc1ccc(F)cc1
InChIInChI=1S/C12H11FO/c1-14-10-4-2-3-5-11-6-8-12(13)9-7-11/h2,4,6-9H,10H2,1H3/b4-2-
InChIKeyCWHWSCWRUAOXIT-RQOWECAXSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene?
The IUPAC name of 1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene (CID 102460195) is 1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene?
The canonical SMILES for 1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene is COC/C=C\C#Cc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene?
The InChIKey is CWHWSCWRUAOXIT-RQOWECAXSA-N. The full InChI is InChI=1S/C12H11FO/c1-14-10-4-2-3-5-11-6-8-12(13)9-7-11/h2,4,6-9H,10H2,1H3/b4-2-.
What are the key properties of 1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene?
1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene has a molecular weight of 190.22 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(Z)-5-methoxypent-3-en-1-ynyl]benzene is sourced from PubChem (CID 102460195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).