4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde

C10H9F3O3 — CID 63320389

IUPAC4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(OCCO)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c11-10(12,13)8-5-7(6-15)1-2-9(8)16-4-3-14/h1-2,5-6,14H,3-4H2
InChIKeyASEPRUKIEGALCM-UHFFFAOYSA-N
MW234.17 g/mol
LogP1.89
Rot. Bonds4

About 4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde

4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde (PubChem CID 63320389) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
PubChem CID63320389
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(OCCO)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c11-10(12,13)8-5-7(6-15)1-2-9(8)16-4-3-14/h1-2,5-6,14H,3-4H2
InChIKeyASEPRUKIEGALCM-UHFFFAOYSA-N
XLogP1.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde (CID 63320389) is 4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde is O=Cc1ccc(OCCO)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde?
The InChIKey is ASEPRUKIEGALCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-10(12,13)8-5-7(6-15)1-2-9(8)16-4-3-14/h1-2,5-6,14H,3-4H2.
What are the key properties of 4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde?
4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde has a molecular weight of 234.17 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 63320389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).