3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde

C14H10F2O2 — CID 112611552

IUPAC3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(F)c1OCc1cccc(F)c1
InChIInChI=1S/C14H10F2O2/c15-12-5-1-3-10(7-12)9-18-14-11(8-17)4-2-6-13(14)16/h1-8H,9H2
InChIKeyIWHVYIKDUJOSOG-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.36
Rot. Bonds4

About 3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde

3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde (PubChem CID 112611552) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
PubChem CID112611552
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(F)c1OCc1cccc(F)c1
InChIInChI=1S/C14H10F2O2/c15-12-5-1-3-10(7-12)9-18-14-11(8-17)4-2-6-13(14)16/h1-8H,9H2
InChIKeyIWHVYIKDUJOSOG-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

3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde
CID 122475316
2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611763
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611712
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde
CID 122476157
2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde
CID 43388336
[3-[(2,6-difluorophenoxy)methyl]phenyl]boronic acid
CID 81270236
3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde
CID 55225437
2,4-difluoro-3-phenylmethoxybenzaldehyde
CID 74891943
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 81264847
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 81264877

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde (CID 112611552) is 3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde is O=Cc1cccc(F)c1OCc1cccc(F)c1.
What is the InChIKey of 3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde?
The InChIKey is IWHVYIKDUJOSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-12-5-1-3-10(7-12)9-18-14-11(8-17)4-2-6-13(14)16/h1-8H,9H2.
What are the key properties of 3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde?
3-fluoro-2-[(3-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 3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 112611552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).