3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde

C14H9F3O2 — CID 114276742

IUPAC3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde
SMILESCc1cc(F)c(F)cc1Oc1cc(F)cc(C=O)c1
InChIInChI=1S/C14H9F3O2/c1-8-2-12(16)13(17)6-14(8)19-11-4-9(7-18)3-10(15)5-11/h2-7H,1H3
InChIKeyVAPSKHHMVDULEI-UHFFFAOYSA-N
MW266.22 g/mol
LogP4.02
Rot. Bonds3

About 3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde

3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde (PubChem CID 114276742) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde
PubChem CID114276742
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde
SMILESCc1cc(F)c(F)cc1Oc1cc(F)cc(C=O)c1
InChIInChI=1S/C14H9F3O2/c1-8-2-12(16)13(17)6-14(8)19-11-4-9(7-18)3-10(15)5-11/h2-7H,1H3
InChIKeyVAPSKHHMVDULEI-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4,5-difluoro-2-methylphenoxy)-5-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

3-(4-tert-butyl-2-methylphenoxy)-5-fluorobenzaldehyde
CID 106529538
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluorobenzaldehyde
CID 106529539
3-fluoro-5-(4-fluoro-3-methylphenoxy)benzaldehyde
CID 106529596
3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde
CID 106529572
3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 106529559
3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde
CID 106529577
3-(4-bromo-3-methylphenoxy)-5-fluorobenzaldehyde
CID 106529601
3-(2-bromophenoxy)-5-fluorobenzaldehyde
CID 106529469
3-(4-bromo-2-propan-2-ylphenoxy)-5-fluorobenzaldehyde
CID 106529597
2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde
CID 114276745
6-(3,5-difluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631634
4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
CID 114276763

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde?
The IUPAC name of 3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde (CID 114276742) is 3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde?
The canonical SMILES for 3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde is Cc1cc(F)c(F)cc1Oc1cc(F)cc(C=O)c1.
What is the InChIKey of 3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde?
The InChIKey is VAPSKHHMVDULEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c1-8-2-12(16)13(17)6-14(8)19-11-4-9(7-18)3-10(15)5-11/h2-7H,1H3.
What are the key properties of 3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde?
3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde has a molecular weight of 266.22 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde is sourced from PubChem (CID 114276742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).