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

C14H9F3O2 — CID 112611763

IUPAC2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1OCc1cc(F)ccc1F
InChIInChI=1S/C14H9F3O2/c15-11-4-5-12(16)10(6-11)8-19-14-9(7-18)2-1-3-13(14)17/h1-7H,8H2
InChIKeyKTSYDSDDTVEBEK-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.50
Rot. Bonds4

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

2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde (PubChem CID 112611763) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
PubChem CID112611763
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1OCc1cc(F)ccc1F
InChIInChI=1S/C14H9F3O2/c15-11-4-5-12(16)10(6-11)8-19-14-9(7-18)2-1-3-13(14)17/h1-7H,8H2
InChIKeyKTSYDSDDTVEBEK-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'}

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Related Compounds

3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
CID 112611434
2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611712
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279
3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde
CID 55222594
2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
CID 115955758
2-[(4-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
CID 115955783
3-[(2-fluoro-6-formylphenoxy)methyl]-4-methoxybenzonitrile
CID 115955743
4-fluoro-2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 91658405
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 104797513
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde?
The IUPAC name of 2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde (CID 112611763) is 2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde?
The canonical SMILES for 2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde is O=Cc1cccc(F)c1OCc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde?
The InChIKey is KTSYDSDDTVEBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c15-11-4-5-12(16)10(6-11)8-19-14-9(7-18)2-1-3-13(14)17/h1-7H,8H2.
What are the key properties of 2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde?
2-[(2,5-difluorophenyl)methoxy]-3-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-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde is sourced from PubChem (CID 112611763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).