3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde

C15H9ClF4O2 — CID 122476454

IUPAC3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1cc(Cl)cc(OCc2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H9ClF4O2/c16-11-3-10(7-21)4-12(6-11)22-8-9-1-2-14(17)13(5-9)15(18,19)20/h1-7H,8H2
InChIKeyWGRSEMOQZNHFJH-UHFFFAOYSA-N
MW332.68 g/mol
LogP4.89
Rot. Bonds4

About 3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde

3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde (PubChem CID 122476454) has the molecular formula C15H9ClF4O2 and a molecular weight of 332.68 g/mol. Its IUPAC name is 3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
PubChem CID122476454
Molecular FormulaC15H9ClF4O2
Molecular Weight332.68 g/mol
Exact Mass332.02
IUPAC Name3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1cc(Cl)cc(OCc2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H9ClF4O2/c16-11-3-10(7-21)4-12(6-11)22-8-9-1-2-14(17)13(5-9)15(18,19)20/h1-7H,8H2
InChIKeyWGRSEMOQZNHFJH-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.68
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The IUPAC name of 3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde (CID 122476454) is 3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The canonical SMILES for 3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde is O=Cc1cc(Cl)cc(OCc2ccc(F)c(C(F)(F)F)c2)c1.
What is the InChIKey of 3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The InChIKey is WGRSEMOQZNHFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4O2/c16-11-3-10(7-21)4-12(6-11)22-8-9-1-2-14(17)13(5-9)15(18,19)20/h1-7H,8H2.
What are the key properties of 3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde has a molecular weight of 332.68 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 122476454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).