3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde

C15H11F3O2 — CID 141490494

IUPAC3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)14-7-2-1-5-12(14)10-20-13-6-3-4-11(8-13)9-19/h1-9H,10H2
InChIKeyKZSYCYDFYIECDQ-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.10
Rot. Bonds4

About 3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde

3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde (PubChem CID 141490494) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde
PubChem CID141490494
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)14-7-2-1-5-12(14)10-20-13-6-3-4-11(8-13)9-19/h1-9H,10H2
InChIKeyKZSYCYDFYIECDQ-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.10
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-[[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 97058040
[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate
CID 175149197
3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 150029896
3-(quinolin-8-ylmethoxy)benzaldehyde
CID 28775093
ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate
CID 11974616
3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde
CID 102974979
4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine
CID 69306733
3-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzaldehyde
CID 121424163
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3-(3,3,3-trifluoropropoxy)benzaldehyde
CID 21071509
3-[(3,4,5-trifluoro-2-methylphenyl)methoxy]benzaldehyde
CID 144776054

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde (CID 141490494) is 3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde is O=Cc1cccc(OCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The InChIKey is KZSYCYDFYIECDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-15(17,18)14-7-2-1-5-12(14)10-20-13-6-3-4-11(8-13)9-19/h1-9H,10H2.
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde has a molecular weight of 280.25 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 141490494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).