3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde

C10H8F4O3 — CID 107689571

IUPAC3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCOC(F)(F)F)c(F)c1
InChIInChI=1S/C10H8F4O3/c11-8-5-7(6-15)1-2-9(8)16-3-4-17-10(12,13)14/h1-2,5-6H,3-4H2
InChIKeyVMFXTHAGRDVXFX-UHFFFAOYSA-N
MW252.16 g/mol
LogP2.55
Rot. Bonds5

About 3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde

3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde (PubChem CID 107689571) has the molecular formula C10H8F4O3 and a molecular weight of 252.16 g/mol. Its IUPAC name is 3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
PubChem CID107689571
Molecular FormulaC10H8F4O3
Molecular Weight252.16 g/mol
Exact Mass252.04
IUPAC Name3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCOC(F)(F)F)c(F)c1
InChIInChI=1S/C10H8F4O3/c11-8-5-7(6-15)1-2-9(8)16-3-4-17-10(12,13)14/h1-2,5-6H,3-4H2
InChIKeyVMFXTHAGRDVXFX-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
3-fluoro-4-(4-phenylbutoxy)benzaldehyde
CID 107689474
potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide
CID 107693734
6-(2-fluoro-4-formylphenoxy)-2,2-dimethylhexanenitrile
CID 106832439
3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
CID 102670875
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
4-(ethoxymethoxy)-3-fluorobenzaldehyde
CID 107689657
4-(6-azidohexoxy)-3-fluorobenzaldehyde
CID 146226130
2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 113338147
N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688368

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde?
The IUPAC name of 3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde (CID 107689571) is 3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde is O=Cc1ccc(OCCOC(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde?
The InChIKey is VMFXTHAGRDVXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O3/c11-8-5-7(6-15)1-2-9(8)16-3-4-17-10(12,13)14/h1-2,5-6H,3-4H2.
What are the key properties of 3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde?
3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde has a molecular weight of 252.16 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 107689571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).