4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde

C13H6ClF3O — CID 107476828

IUPAC4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde
SMILESO=Cc1ccc(-c2cc(F)c(F)cc2Cl)cc1F
InChIInChI=1S/C13H6ClF3O/c14-10-5-13(17)12(16)4-9(10)7-1-2-8(6-18)11(15)3-7/h1-6H
InChIKeyLGWXVOMYPSKEOY-UHFFFAOYSA-N
MW270.64 g/mol
LogP4.24
Rot. Bonds2

About 4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde

4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde (PubChem CID 107476828) has the molecular formula C13H6ClF3O and a molecular weight of 270.64 g/mol. Its IUPAC name is 4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde
PubChem CID107476828
Molecular FormulaC13H6ClF3O
Molecular Weight270.64 g/mol
Exact Mass270.01
IUPAC Name4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde
SMILESO=Cc1ccc(-c2cc(F)c(F)cc2Cl)cc1F
InChIInChI=1S/C13H6ClF3O/c14-10-5-13(17)12(16)4-9(10)7-1-2-8(6-18)11(15)3-7/h1-6H
InChIKeyLGWXVOMYPSKEOY-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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde
CID 107476829
2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde
CID 54912741
2-(4-chloro-3-fluorophenyl)benzaldehyde
CID 18357470
2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde
CID 58978552
4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde
CID 61032850
2-fluoro-5-(2,4,5-trifluorophenyl)benzaldehyde
CID 115503115
2-(3-chlorophenyl)-4,5-difluorobenzaldehyde
CID 172909463
2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde
CID 102834299
2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde
CID 63424637
4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde
CID 107289657
2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde
CID 58978553
4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220552

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde?
The IUPAC name of 4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde (CID 107476828) is 4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde.
What is the SMILES notation for 4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde?
The canonical SMILES for 4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde is O=Cc1ccc(-c2cc(F)c(F)cc2Cl)cc1F.
What is the InChIKey of 4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde?
The InChIKey is LGWXVOMYPSKEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3O/c14-10-5-13(17)12(16)4-9(10)7-1-2-8(6-18)11(15)3-7/h1-6H.
What are the key properties of 4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde?
4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde 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 4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde is sourced from PubChem (CID 107476828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).