3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde

C13H7ClF2O — CID 115504370

IUPAC3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H7ClF2O/c14-11-6-9(2-4-13(11)16)10-5-8(7-17)1-3-12(10)15/h1-7H
InChIKeyZYKVBZSVWDJYOV-UHFFFAOYSA-N
MW252.65 g/mol
LogP4.10
Rot. Bonds2

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

3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde (PubChem CID 115504370) has the molecular formula C13H7ClF2O and a molecular weight of 252.65 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde
PubChem CID115504370
Molecular FormulaC13H7ClF2O
Molecular Weight252.65 g/mol
Exact Mass252.02
IUPAC Name3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H7ClF2O/c14-11-6-9(2-4-13(11)16)10-5-8(7-17)1-3-12(10)15/h1-7H
InChIKeyZYKVBZSVWDJYOV-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-difluorophenyl)-4-fluorobenzaldehyde
CID 61033610
4-fluoro-3-(3,4,5-trifluorophenyl)benzaldehyde
CID 61240453
4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 54912239
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde
CID 39232113
5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220476
4-fluoro-3-quinolin-7-ylbenzaldehyde
CID 81224437
4-chloro-3-(3-fluorophenyl)benzaldehyde
CID 82106981
4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde
CID 172653843
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
CID 63877969
4-fluoro-3-(5-methylthiophen-3-yl)benzaldehyde
CID 65100507

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde (CID 115504370) is 3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde is O=Cc1ccc(F)c(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde?
The InChIKey is ZYKVBZSVWDJYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O/c14-11-6-9(2-4-13(11)16)10-5-8(7-17)1-3-12(10)15/h1-7H.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde?
3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde has a molecular weight of 252.65 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde is sourced from PubChem (CID 115504370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).