2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde

C13H6ClF3O — CID 172909457

IUPAC2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(F)cc1-c1cc(F)ccc1Cl
InChIInChI=1S/C13H6ClF3O/c14-11-2-1-8(15)4-10(11)9-5-13(17)12(16)3-7(9)6-18/h1-6H
InChIKeyFXGLKMANIJPYTL-UHFFFAOYSA-N
MW270.64 g/mol
LogP4.24
Rot. Bonds2

About 2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde

2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde (PubChem CID 172909457) has the molecular formula C13H6ClF3O and a molecular weight of 270.64 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde
PubChem CID172909457
Molecular FormulaC13H6ClF3O
Molecular Weight270.64 g/mol
Exact Mass270.01
IUPAC Name2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(F)cc1-c1cc(F)ccc1Cl
InChIInChI=1S/C13H6ClF3O/c14-11-2-1-8(15)4-10(11)9-5-13(17)12(16)3-7(9)6-18/h1-6H
InChIKeyFXGLKMANIJPYTL-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 54.24
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
2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde
CID 172653782
5-chloro-2-(2,4-difluorophenyl)benzaldehyde
CID 66158909
4-(2-chloro-5-fluorophenyl)benzaldehyde
CID 105395676
2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde
CID 107476829
3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
CID 105408282
4-(2-chloro-5-fluorophenyl)-2-nitrobenzaldehyde
CID 176730068
2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde
CID 172909483
4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde
CID 107476828
2-(3-chlorophenyl)-4,5-difluorobenzaldehyde
CID 172909463
2-(2,5-dichlorophenyl)benzaldehyde
CID 58037863
1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde (CID 172909457) is 2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde is O=Cc1cc(F)c(F)cc1-c1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde?
The InChIKey is FXGLKMANIJPYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3O/c14-11-2-1-8(15)4-10(11)9-5-13(17)12(16)3-7(9)6-18/h1-6H.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde?
2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde has a molecular weight of 270.64 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde is sourced from PubChem (CID 172909457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).