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

C13H8ClFO — CID 82106981

IUPAC4-chloro-3-(3-fluorophenyl)benzaldehyde
SMILESO=Cc1ccc(Cl)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H8ClFO/c14-13-5-4-9(8-16)6-12(13)10-2-1-3-11(15)7-10/h1-8H
InChIKeyDDUZBKBOUQDXBA-UHFFFAOYSA-N
MW234.66 g/mol
LogP3.96
Rot. Bonds2

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

4-chloro-3-(3-fluorophenyl)benzaldehyde (PubChem CID 82106981) has the molecular formula C13H8ClFO and a molecular weight of 234.66 g/mol. Its IUPAC name is 4-chloro-3-(3-fluorophenyl)benzaldehyde.

Molecular Properties

Compound Name4-chloro-3-(3-fluorophenyl)benzaldehyde
PubChem CID82106981
Molecular FormulaC13H8ClFO
Molecular Weight234.66 g/mol
Exact Mass234.02
IUPAC Name4-chloro-3-(3-fluorophenyl)benzaldehyde
SMILESO=Cc1ccc(Cl)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H8ClFO/c14-13-5-4-9(8-16)6-12(13)10-2-1-3-11(15)7-10/h1-8H
InChIKeyDDUZBKBOUQDXBA-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 53.96
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

4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde
CID 172653843
4-(2-chloro-5-fluorophenyl)benzaldehyde
CID 105395676
3-(2-chloro-4-fluorophenyl)benzaldehyde
CID 50998586
3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
CID 105408282
4-chloro-3-(4-hydroxyphenyl)benzaldehyde
CID 39231923
3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde
CID 115504370
3-(2-chlorophenyl)-5-fluorobenzaldehyde
CID 166643026
4-chloro-3-pyrimidin-2-ylbenzaldehyde
CID 45278343
4-chloro-3-(4-methoxyphenyl)benzaldehyde
CID 22391389
3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde
CID 119005292
5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde
CID 75359372
4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde
CID 79072758

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-fluorophenyl)benzaldehyde?
The IUPAC name of 4-chloro-3-(3-fluorophenyl)benzaldehyde (CID 82106981) is 4-chloro-3-(3-fluorophenyl)benzaldehyde.
What is the SMILES notation for 4-chloro-3-(3-fluorophenyl)benzaldehyde?
The canonical SMILES for 4-chloro-3-(3-fluorophenyl)benzaldehyde is O=Cc1ccc(Cl)c(-c2cccc(F)c2)c1.
What is the InChIKey of 4-chloro-3-(3-fluorophenyl)benzaldehyde?
The InChIKey is DDUZBKBOUQDXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO/c14-13-5-4-9(8-16)6-12(13)10-2-1-3-11(15)7-10/h1-8H.
What are the key properties of 4-chloro-3-(3-fluorophenyl)benzaldehyde?
4-chloro-3-(3-fluorophenyl)benzaldehyde has a molecular weight of 234.66 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-fluorophenyl)benzaldehyde is sourced from PubChem (CID 82106981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).