2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde

C14H10F2O — CID 54912741

IUPAC2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde
SMILESCc1ccc(F)c(-c2ccc(C=O)c(F)c2)c1
InChIInChI=1S/C14H10F2O/c1-9-2-5-13(15)12(6-9)10-3-4-11(8-17)14(16)7-10/h2-8H,1H3
InChIKeyLGPHMSLTXKKTEE-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.75
Rot. Bonds2

About 2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde

2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde (PubChem CID 54912741) has the molecular formula C14H10F2O and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde
PubChem CID54912741
Molecular FormulaC14H10F2O
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde
SMILESCc1ccc(F)c(-c2ccc(C=O)c(F)c2)c1
InChIInChI=1S/C14H10F2O/c1-9-2-5-13(15)12(6-9)10-3-4-11(8-17)14(16)7-10/h2-8H,1H3
InChIKeyLGPHMSLTXKKTEE-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde 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

4-Methylbenzaldehyde
CID 7725
1-Naphthaldehyde
CID 6195
4-Ethylbenzaldehyde
CID 20861
Cuminaldehyde
CID 326
2,4,6-Trimethylbenzaldehyde
CID 10254
3-Methylbenzaldehyde
CID 12105
2,4-Dimethylbenzaldehyde
CID 61814
4,4'-Difluorobenzophenone
CID 9582
3,4-Dimethylbenzaldehyde
CID 22278
2-Naphthalenecarboxaldehyde
CID 6201
4-tert-Butylbenzaldehyde
CID 70324
(1,1'-Biphenyl)-4-carboxaldehyde
CID 76689

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde (CID 54912741) is 2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde is Cc1ccc(F)c(-c2ccc(C=O)c(F)c2)c1.
What is the InChIKey of 2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde?
The InChIKey is LGPHMSLTXKKTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O/c1-9-2-5-13(15)12(6-9)10-3-4-11(8-17)14(16)7-10/h2-8H,1H3.
What are the key properties of 2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde?
2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde has a molecular weight of 232.23 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde is sourced from PubChem (CID 54912741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).