2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde

C14H10F2O2 — CID 89250965

IUPAC2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(F)cc2)cc1F
InChIInChI=1S/C14H10F2O2/c15-12-4-1-10(2-5-12)9-18-13-6-3-11(8-17)14(16)7-13/h1-8H,9H2
InChIKeyIPRYVIFXTGISRA-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.36
Rot. Bonds4

About 2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde

2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde (PubChem CID 89250965) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
PubChem CID89250965
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(F)cc2)cc1F
InChIInChI=1S/C14H10F2O2/c15-12-4-1-10(2-5-12)9-18-13-6-3-11(8-17)14(16)7-13/h1-8H,9H2
InChIKeyIPRYVIFXTGISRA-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.36
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

1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
CID 145469155
CID 145469155
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 82918902
4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde
CID 58047174
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403669
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde
CID 13340101
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde (CID 89250965) is 2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccc(F)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde?
The InChIKey is IPRYVIFXTGISRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-12-4-1-10(2-5-12)9-18-13-6-3-11(8-17)14(16)7-13/h1-8H,9H2.
What are the key properties of 2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde?
2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde has a molecular weight of 248.23 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 89250965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).