4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde

C9H4F4O — CID 163463323

IUPAC4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde
SMILESC=Cc1c(F)c(F)c(C=O)c(F)c1F
InChIInChI=1S/C9H4F4O/c1-2-4-6(10)8(12)5(3-14)9(13)7(4)11/h2-3H,1H2
InChIKeyBQLZZKXOJDRGLZ-UHFFFAOYSA-N
MW204.12 g/mol
LogP2.70
Rot. Bonds2

About 4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde

4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde (PubChem CID 163463323) has the molecular formula C9H4F4O and a molecular weight of 204.12 g/mol. Its IUPAC name is 4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde.

Molecular Properties

Compound Name4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde
PubChem CID163463323
Molecular FormulaC9H4F4O
Molecular Weight204.12 g/mol
Exact Mass204.02
IUPAC Name4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde
SMILESC=Cc1c(F)c(F)c(C=O)c(F)c1F
InChIInChI=1S/C9H4F4O/c1-2-4-6(10)8(12)5(3-14)9(13)7(4)11/h2-3H,1H2
InChIKeyBQLZZKXOJDRGLZ-UHFFFAOYSA-N
XLogP2.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.12
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde?
The IUPAC name of 4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde (CID 163463323) is 4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde.
What is the SMILES notation for 4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde?
The canonical SMILES for 4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde is C=Cc1c(F)c(F)c(C=O)c(F)c1F.
What is the InChIKey of 4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde?
The InChIKey is BQLZZKXOJDRGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4O/c1-2-4-6(10)8(12)5(3-14)9(13)7(4)11/h2-3H,1H2.
What are the key properties of 4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde?
4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde has a molecular weight of 204.12 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde is sourced from PubChem (CID 163463323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).