2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde

C13H4Cl5FO — CID 134620169

IUPAC2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde
SMILESO=Cc1cccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1F
InChIInChI=1S/C13H4Cl5FO/c14-8-7(9(15)11(17)12(18)10(8)16)6-3-1-2-5(4-20)13(6)19/h1-4H
InChIKeyOYRBMVLXQJHVSI-UHFFFAOYSA-N
MW372.44 g/mol
LogP6.57
Rot. Bonds2

About 2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde

2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde (PubChem CID 134620169) has the molecular formula C13H4Cl5FO and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde
PubChem CID134620169
Molecular FormulaC13H4Cl5FO
Molecular Weight372.44 g/mol
Exact Mass369.87
IUPAC Name2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde
SMILESO=Cc1cccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1F
InChIInChI=1S/C13H4Cl5FO/c14-8-7(9(15)11(17)12(18)10(8)16)6-3-1-2-5(4-20)13(6)19/h1-4H
InChIKeyOYRBMVLXQJHVSI-UHFFFAOYSA-N
XLogP6.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 56.57
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

2-fluoro-3-(4-methylphenyl)benzaldehyde
CID 171367900
2-chloro-3-fluoroterephthalaldehyde
CID 87294341
1,2,3,4,5-pentachloro-6-[3-(chloromethyl)-2-fluorophenyl]benzene
CID 134622331
3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde
CID 165487809
2-fluoro-3-hydroxybenzaldehyde
CID 587789
2-chloro-3-(2,3-difluorophenyl)pyridine-4-carbaldehyde
CID 133093653
3-amino-2-fluorobenzaldehyde
CID 55282197
2,3-dichlorobenzaldehyde;methanol
CID 162040206
4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde
CID 165451387
2-chloro-3-(5-fluoro-1H-pyrazol-4-yl)benzaldehyde
CID 163283497
6-(2,3-dichlorophenyl)-2-fluoropyridine-3-carbaldehyde
CID 133090737
2-(4-chloro-3-fluorophenyl)benzaldehyde
CID 18357470

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde?
The IUPAC name of 2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde (CID 134620169) is 2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde?
The canonical SMILES for 2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde is O=Cc1cccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1F.
What is the InChIKey of 2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde?
The InChIKey is OYRBMVLXQJHVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4Cl5FO/c14-8-7(9(15)11(17)12(18)10(8)16)6-3-1-2-5(4-20)13(6)19/h1-4H.
What are the key properties of 2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde?
2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde has a molecular weight of 372.44 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde is sourced from PubChem (CID 134620169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).