4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde

C13H7Cl2FO — CID 172653843

IUPAC4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde
SMILESO=Cc1ccc(Cl)c(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C13H7Cl2FO/c14-12-3-1-8(7-17)5-10(12)11-6-9(16)2-4-13(11)15/h1-7H
InChIKeyQQHLIGRFGXYPQO-UHFFFAOYSA-N
MW269.10 g/mol
LogP4.61
Rot. Bonds2

About 4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde

4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde (PubChem CID 172653843) has the molecular formula C13H7Cl2FO and a molecular weight of 269.10 g/mol. Its IUPAC name is 4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde.

Molecular Properties

Compound Name4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde
PubChem CID172653843
Molecular FormulaC13H7Cl2FO
Molecular Weight269.10 g/mol
Exact Mass267.99
IUPAC Name4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde
SMILESO=Cc1ccc(Cl)c(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C13H7Cl2FO/c14-12-3-1-8(7-17)5-10(12)11-6-9(16)2-4-13(11)15/h1-7H
InChIKeyQQHLIGRFGXYPQO-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
CID 105408282
4-(2-chloro-5-fluorophenyl)benzaldehyde
CID 105395676
4-chloro-3-(3-fluorophenyl)benzaldehyde
CID 82106981
2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde
CID 172909457
3-(2-chloro-4-fluorophenyl)benzaldehyde
CID 50998586
4-chloro-3-(4-hydroxyphenyl)benzaldehyde
CID 39231923
4-chloro-3-pyrimidin-2-ylbenzaldehyde
CID 45278343
6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde
CID 175646824
3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde
CID 115504370
4-(2,5-difluorophenyl)-3-methylbenzaldehyde
CID 81446927
4-chloro-3-(4-methoxyphenyl)benzaldehyde
CID 22391389
2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde
CID 172653782

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde?
The IUPAC name of 4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde (CID 172653843) is 4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde.
What is the SMILES notation for 4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde?
The canonical SMILES for 4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde is O=Cc1ccc(Cl)c(-c2cc(F)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde?
The InChIKey is QQHLIGRFGXYPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO/c14-12-3-1-8(7-17)5-10(12)11-6-9(16)2-4-13(11)15/h1-7H.
What are the key properties of 4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde?
4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde has a molecular weight of 269.10 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde is sourced from PubChem (CID 172653843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).