3-(2-fluorophenyl)-2-methoxypropanal

C10H11FO2 — CID 105439949

IUPAC3-(2-fluorophenyl)-2-methoxypropanal
SMILESCOC(C=O)Cc1ccccc1F
InChIInChI=1S/C10H11FO2/c1-13-9(7-12)6-8-4-2-3-5-10(8)11/h2-5,7,9H,6H2,1H3
InChIKeyBIUURTCRQGYUIF-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.58
Rot. Bonds4

About 3-(2-fluorophenyl)-2-methoxypropanal

3-(2-fluorophenyl)-2-methoxypropanal (PubChem CID 105439949) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methoxypropanal.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methoxypropanal
PubChem CID105439949
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name3-(2-fluorophenyl)-2-methoxypropanal
SMILESCOC(C=O)Cc1ccccc1F
InChIInChI=1S/C10H11FO2/c1-13-9(7-12)6-8-4-2-3-5-10(8)11/h2-5,7,9H,6H2,1H3
InChIKeyBIUURTCRQGYUIF-UHFFFAOYSA-N
XLogP1.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.58
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-(2-fluorophenyl)-2-methoxypropanal?
The IUPAC name of 3-(2-fluorophenyl)-2-methoxypropanal (CID 105439949) is 3-(2-fluorophenyl)-2-methoxypropanal.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methoxypropanal?
The canonical SMILES for 3-(2-fluorophenyl)-2-methoxypropanal is COC(C=O)Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-methoxypropanal?
The InChIKey is BIUURTCRQGYUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-13-9(7-12)6-8-4-2-3-5-10(8)11/h2-5,7,9H,6H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-2-methoxypropanal?
3-(2-fluorophenyl)-2-methoxypropanal has a molecular weight of 182.19 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methoxypropanal is sourced from PubChem (CID 105439949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).