4-ethenyl-3-fluorobenzaldehyde

C9H7FO — CID 88903267

IUPAC4-ethenyl-3-fluorobenzaldehyde
SMILESC=Cc1ccc(C=O)cc1F
InChIInChI=1S/C9H7FO/c1-2-8-4-3-7(6-11)5-9(8)10/h2-6H,1H2
InChIKeyNPHCKILRTKGNOV-UHFFFAOYSA-N
MW150.15 g/mol
LogP2.28
Rot. Bonds2

About 4-ethenyl-3-fluorobenzaldehyde

4-ethenyl-3-fluorobenzaldehyde (PubChem CID 88903267) has the molecular formula C9H7FO and a molecular weight of 150.15 g/mol. Its IUPAC name is 4-ethenyl-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-ethenyl-3-fluorobenzaldehyde
PubChem CID88903267
Molecular FormulaC9H7FO
Molecular Weight150.15 g/mol
Exact Mass150.05
IUPAC Name4-ethenyl-3-fluorobenzaldehyde
SMILESC=Cc1ccc(C=O)cc1F
InChIInChI=1S/C9H7FO/c1-2-8-4-3-7(6-11)5-9(8)10/h2-6H,1H2
InChIKeyNPHCKILRTKGNOV-UHFFFAOYSA-N
XLogP2.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-fluorobenzaldehyde?
The IUPAC name of 4-ethenyl-3-fluorobenzaldehyde (CID 88903267) is 4-ethenyl-3-fluorobenzaldehyde.
What is the SMILES notation for 4-ethenyl-3-fluorobenzaldehyde?
The canonical SMILES for 4-ethenyl-3-fluorobenzaldehyde is C=Cc1ccc(C=O)cc1F.
What is the InChIKey of 4-ethenyl-3-fluorobenzaldehyde?
The InChIKey is NPHCKILRTKGNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO/c1-2-8-4-3-7(6-11)5-9(8)10/h2-6H,1H2.
What are the key properties of 4-ethenyl-3-fluorobenzaldehyde?
4-ethenyl-3-fluorobenzaldehyde has a molecular weight of 150.15 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-fluorobenzaldehyde is sourced from PubChem (CID 88903267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).