2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde

C14H9F3O2 — CID 107697829

IUPAC2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1OCc1cccc(F)c1F
InChIInChI=1S/C14H9F3O2/c15-11-4-5-13(10(6-11)7-18)19-8-9-2-1-3-12(16)14(9)17/h1-7H,8H2
InChIKeyWMMOLNNXMRROAO-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.50
Rot. Bonds4

About 2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde

2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde (PubChem CID 107697829) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde
PubChem CID107697829
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1OCc1cccc(F)c1F
InChIInChI=1S/C14H9F3O2/c15-11-4-5-13(10(6-11)7-18)19-8-9-2-1-3-12(16)14(9)17/h1-7H,8H2
InChIKeyWMMOLNNXMRROAO-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2,3-difluorophenyl)methoxy]-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

2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
2-[(2,4-difluorophenoxy)methyl]benzaldehyde
CID 87366498
4-fluoro-2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 91658405
5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 112652333
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
3-fluoro-4-[(4-fluoro-2-formylphenoxy)methyl]benzonitrile
CID 107697217
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
CID 80742274
2-[(3,5-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697277
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697201
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611763
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde?
The IUPAC name of 2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde (CID 107697829) is 2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde is O=Cc1cc(F)ccc1OCc1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde?
The InChIKey is WMMOLNNXMRROAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c15-11-4-5-13(10(6-11)7-18)19-8-9-2-1-3-12(16)14(9)17/h1-7H,8H2.
What are the key properties of 2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde?
2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde has a molecular weight of 266.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde is sourced from PubChem (CID 107697829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).