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

C13H7Cl2FO — CID 172653719

IUPAC3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde
SMILESO=Cc1cc(Cl)cc(-c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C13H7Cl2FO/c14-11-4-8(7-17)3-10(5-11)9-1-2-12(15)13(16)6-9/h1-7H
InChIKeyOIBXQXWIBJNMPM-UHFFFAOYSA-N
MW269.10 g/mol
LogP4.61
Rot. Bonds2

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

3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde (PubChem CID 172653719) has the molecular formula C13H7Cl2FO and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde
PubChem CID172653719
Molecular FormulaC13H7Cl2FO
Molecular Weight269.10 g/mol
Exact Mass267.99
IUPAC Name3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde
SMILESO=Cc1cc(Cl)cc(-c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C13H7Cl2FO/c14-11-4-8(7-17)3-10(5-11)9-1-2-12(15)13(16)6-9/h1-7H
InChIKeyOIBXQXWIBJNMPM-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-chloro-5-naphthalen-2-ylbenzaldehyde
CID 122475980
3-(3,5-dichlorophenyl)-5-fluorobenzaldehyde
CID 134623785
3-(3,5-dichlorophenyl)benzaldehyde
CID 2758152
3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde
CID 119005292
3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde
CID 122476961
2-[3-chloro-5-(4-chloro-3-fluorophenyl)phenyl]acetonitrile
CID 175670067
2-(4-chloro-3-fluorophenyl)benzaldehyde
CID 18357470
3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde
CID 122476342
3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde
CID 172649246
4-(4-chloro-3-fluorophenyl)aniline
CID 3265089
5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde
CID 167311958
3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde
CID 115504370

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde?
The IUPAC name of 3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde (CID 172653719) is 3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde.
What is the SMILES notation for 3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde?
The canonical SMILES for 3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde is O=Cc1cc(Cl)cc(-c2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde?
The InChIKey is OIBXQXWIBJNMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO/c14-11-4-8(7-17)3-10(5-11)9-1-2-12(15)13(16)6-9/h1-7H.
What are the key properties of 3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde?
3-chloro-5-(4-chloro-3-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 3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde is sourced from PubChem (CID 172653719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).