3,5-dichloro-2,4,6-trifluorobenzaldehyde

C7HCl2F3O — CID 22026357

IUPAC3,5-dichloro-2,4,6-trifluorobenzaldehyde
SMILESO=Cc1c(F)c(Cl)c(F)c(Cl)c1F
InChIInChI=1S/C7HCl2F3O/c8-3-5(10)2(1-13)6(11)4(9)7(3)12/h1H
InChIKeyBCKHICABXCTJJL-UHFFFAOYSA-N
MW228.98 g/mol
LogP3.22
Rot. Bonds1

About 3,5-dichloro-2,4,6-trifluorobenzaldehyde

3,5-dichloro-2,4,6-trifluorobenzaldehyde (PubChem CID 22026357) has the molecular formula C7HCl2F3O and a molecular weight of 228.98 g/mol. Its IUPAC name is 3,5-dichloro-2,4,6-trifluorobenzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-2,4,6-trifluorobenzaldehyde
PubChem CID22026357
Molecular FormulaC7HCl2F3O
Molecular Weight228.98 g/mol
Exact Mass227.94
IUPAC Name3,5-dichloro-2,4,6-trifluorobenzaldehyde
SMILESO=Cc1c(F)c(Cl)c(F)c(Cl)c1F
InChIInChI=1S/C7HCl2F3O/c8-3-5(10)2(1-13)6(11)4(9)7(3)12/h1H
InChIKeyBCKHICABXCTJJL-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.98
LogP ≤ 53.22
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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

CID 35746
CID 35746
CID 593866
CID 593866
CID 736335
CID 736335
CID 2773586
CID 2773586
CID 53440603
CID 53440603
CID 5463764
CID 5463764
CID 736338
CID 736338
CID 2734839
CID 2734839
CID 2773509
CID 2773509
CID 3735177
CID 3735177
CID 14118322
CID 14118322
CID 2773512
CID 2773512

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,4,6-trifluorobenzaldehyde?
The IUPAC name of 3,5-dichloro-2,4,6-trifluorobenzaldehyde (CID 22026357) is 3,5-dichloro-2,4,6-trifluorobenzaldehyde.
What is the SMILES notation for 3,5-dichloro-2,4,6-trifluorobenzaldehyde?
The canonical SMILES for 3,5-dichloro-2,4,6-trifluorobenzaldehyde is O=Cc1c(F)c(Cl)c(F)c(Cl)c1F.
What is the InChIKey of 3,5-dichloro-2,4,6-trifluorobenzaldehyde?
The InChIKey is BCKHICABXCTJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl2F3O/c8-3-5(10)2(1-13)6(11)4(9)7(3)12/h1H.
What are the key properties of 3,5-dichloro-2,4,6-trifluorobenzaldehyde?
3,5-dichloro-2,4,6-trifluorobenzaldehyde has a molecular weight of 228.98 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,4,6-trifluorobenzaldehyde is sourced from PubChem (CID 22026357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).