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

C14H9ClF2O — CID 107476829

IUPAC2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)c(-c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C14H9ClF2O/c1-8-2-3-9(7-18)10(4-8)11-5-13(16)14(17)6-12(11)15/h2-7H,1H3
InChIKeyHSCWOKURQYOZQD-UHFFFAOYSA-N
MW266.67 g/mol
LogP4.41
Rot. Bonds2

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

2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde (PubChem CID 107476829) has the molecular formula C14H9ClF2O and a molecular weight of 266.67 g/mol. Its IUPAC name is 2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde
PubChem CID107476829
Molecular FormulaC14H9ClF2O
Molecular Weight266.67 g/mol
Exact Mass266.03
IUPAC Name2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)c(-c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C14H9ClF2O/c1-8-2-3-9(7-18)10(4-8)11-5-13(16)14(17)6-12(11)15/h2-7H,1H3
InChIKeyHSCWOKURQYOZQD-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.67
LogP ≤ 54.41
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'}

Analyze 2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde 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

2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde
CID 172909442
4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde
CID 107476828
2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde
CID 172909457
2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde
CID 107360550
2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde
CID 54912741
4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde
CID 61032850
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde
CID 107289665
3-(2,4-dichloro-5-fluorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 3728641
3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde
CID 86608680
5-chloro-2-(2,4-dimethylphenyl)benzaldehyde
CID 66161659
2-iodyl-4-methylbenzaldehyde
CID 172555476

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde?
The IUPAC name of 2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde (CID 107476829) is 2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde.
What is the SMILES notation for 2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde?
The canonical SMILES for 2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde is Cc1ccc(C=O)c(-c2cc(F)c(F)cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde?
The InChIKey is HSCWOKURQYOZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O/c1-8-2-3-9(7-18)10(4-8)11-5-13(16)14(17)6-12(11)15/h2-7H,1H3.
What are the key properties of 2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde?
2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde has a molecular weight of 266.67 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde is sourced from PubChem (CID 107476829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).