3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde

C15H10F4O3 — CID 122475316

IUPAC3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde
SMILESO=Cc1cccc(F)c1OCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H10F4O3/c16-13-6-2-4-11(8-20)14(13)21-9-10-3-1-5-12(7-10)22-15(17,18)19/h1-8H,9H2
InChIKeyFLBGIYCCBHTKFG-UHFFFAOYSA-N
MW314.23 g/mol
LogP4.12
Rot. Bonds5

About 3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde

3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde (PubChem CID 122475316) has the molecular formula C15H10F4O3 and a molecular weight of 314.23 g/mol. Its IUPAC name is 3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde
PubChem CID122475316
Molecular FormulaC15H10F4O3
Molecular Weight314.23 g/mol
Exact Mass314.06
IUPAC Name3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde
SMILESO=Cc1cccc(F)c1OCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H10F4O3/c16-13-6-2-4-11(8-20)14(13)21-9-10-3-1-5-12(7-10)22-15(17,18)19/h1-8H,9H2
InChIKeyFLBGIYCCBHTKFG-UHFFFAOYSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde 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-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611763
3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde
CID 91655985
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489
3-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 115955486
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611712
5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 58007781
3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde
CID 55225437
2-methyl-3-[3-(trifluoromethoxy)phenyl]propanal
CID 64666640

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde?
The IUPAC name of 3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde (CID 122475316) is 3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde is O=Cc1cccc(F)c1OCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde?
The InChIKey is FLBGIYCCBHTKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O3/c16-13-6-2-4-11(8-20)14(13)21-9-10-3-1-5-12(7-10)22-15(17,18)19/h1-8H,9H2.
What are the key properties of 3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde?
3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde has a molecular weight of 314.23 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 122475316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).