5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde

C14H10ClFO — CID 115504092

IUPAC5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde
SMILESCc1ccc(-c2ccc(F)c(C=O)c2)cc1Cl
InChIInChI=1S/C14H10ClFO/c1-9-2-3-11(7-13(9)15)10-4-5-14(16)12(6-10)8-17/h2-8H,1H3
InChIKeyARRYRRFGMVLWGQ-UHFFFAOYSA-N
MW248.68 g/mol
LogP4.27
Rot. Bonds2

About 5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde

5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde (PubChem CID 115504092) has the molecular formula C14H10ClFO and a molecular weight of 248.68 g/mol. Its IUPAC name is 5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde
PubChem CID115504092
Molecular FormulaC14H10ClFO
Molecular Weight248.68 g/mol
Exact Mass248.04
IUPAC Name5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde
SMILESCc1ccc(-c2ccc(F)c(C=O)c2)cc1Cl
InChIInChI=1S/C14H10ClFO/c1-9-2-3-11(7-13(9)15)10-4-5-14(16)12(6-10)8-17/h2-8H,1H3
InChIKeyARRYRRFGMVLWGQ-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(3-chloro-4-methylphenyl)-2-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

5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde
CID 22566637
2-(3-chloro-4-methylphenyl)benzaldehyde
CID 115504091
5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220476
5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde
CID 115502480
2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde
CID 81432511
2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde
CID 66280367
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
CID 123988407
CID 123988407
2-fluoro-5-(2,4,5-trifluorophenyl)benzaldehyde
CID 115503115
5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde
CID 130698823
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde
CID 107289689
2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde
CID 58978553

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde?
The IUPAC name of 5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde (CID 115504092) is 5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde.
What is the SMILES notation for 5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde?
The canonical SMILES for 5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde is Cc1ccc(-c2ccc(F)c(C=O)c2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde?
The InChIKey is ARRYRRFGMVLWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO/c1-9-2-3-11(7-13(9)15)10-4-5-14(16)12(6-10)8-17/h2-8H,1H3.
What are the key properties of 5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde?
5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde has a molecular weight of 248.68 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde is sourced from PubChem (CID 115504092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).