4-ethenyl-1-ethynyl-2-fluorobenzene

C10H7F — CID 146499216

IUPAC4-ethenyl-1-ethynyl-2-fluorobenzene
SMILESC#Cc1ccc(C=C)cc1F
InChIInChI=1S/C10H7F/c1-3-8-5-6-9(4-2)10(11)7-8/h2-3,5-7H,1H2
InChIKeyMQZGPNVMTSDUCH-UHFFFAOYSA-N
MW146.16 g/mol
LogP2.45
Rot. Bonds1

About 4-ethenyl-1-ethynyl-2-fluorobenzene

4-ethenyl-1-ethynyl-2-fluorobenzene (PubChem CID 146499216) has the molecular formula C10H7F and a molecular weight of 146.16 g/mol. Its IUPAC name is 4-ethenyl-1-ethynyl-2-fluorobenzene.

Molecular Properties

Compound Name4-ethenyl-1-ethynyl-2-fluorobenzene
PubChem CID146499216
Molecular FormulaC10H7F
Molecular Weight146.16 g/mol
Exact Mass146.05
IUPAC Name4-ethenyl-1-ethynyl-2-fluorobenzene
SMILESC#Cc1ccc(C=C)cc1F
InChIInChI=1S/C10H7F/c1-3-8-5-6-9(4-2)10(11)7-8/h2-3,5-7H,1H2
InChIKeyMQZGPNVMTSDUCH-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4-ethenyl-1-ethynyl-2-fluorobenzene?
The IUPAC name of 4-ethenyl-1-ethynyl-2-fluorobenzene (CID 146499216) is 4-ethenyl-1-ethynyl-2-fluorobenzene.
What is the SMILES notation for 4-ethenyl-1-ethynyl-2-fluorobenzene?
The canonical SMILES for 4-ethenyl-1-ethynyl-2-fluorobenzene is C#Cc1ccc(C=C)cc1F.
What is the InChIKey of 4-ethenyl-1-ethynyl-2-fluorobenzene?
The InChIKey is MQZGPNVMTSDUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F/c1-3-8-5-6-9(4-2)10(11)7-8/h2-3,5-7H,1H2.
What are the key properties of 4-ethenyl-1-ethynyl-2-fluorobenzene?
4-ethenyl-1-ethynyl-2-fluorobenzene has a molecular weight of 146.16 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-ethynyl-2-fluorobenzene is sourced from PubChem (CID 146499216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).