3-(2-fluorophenyl)-2-methoxybutanal

C11H13FO2 — CID 147233969

IUPAC3-(2-fluorophenyl)-2-methoxybutanal
SMILESCOC(C=O)C(C)c1ccccc1F
InChIInChI=1S/C11H13FO2/c1-8(11(7-13)14-2)9-5-3-4-6-10(9)12/h3-8,11H,1-2H3
InChIKeyCJLKPPBODZTUMV-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.14
Rot. Bonds4

About 3-(2-fluorophenyl)-2-methoxybutanal

3-(2-fluorophenyl)-2-methoxybutanal (PubChem CID 147233969) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methoxybutanal.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methoxybutanal
PubChem CID147233969
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name3-(2-fluorophenyl)-2-methoxybutanal
SMILESCOC(C=O)C(C)c1ccccc1F
InChIInChI=1S/C11H13FO2/c1-8(11(7-13)14-2)9-5-3-4-6-10(9)12/h3-8,11H,1-2H3
InChIKeyCJLKPPBODZTUMV-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.14
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-methoxybutanal?
The IUPAC name of 3-(2-fluorophenyl)-2-methoxybutanal (CID 147233969) is 3-(2-fluorophenyl)-2-methoxybutanal.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methoxybutanal?
The canonical SMILES for 3-(2-fluorophenyl)-2-methoxybutanal is COC(C=O)C(C)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-methoxybutanal?
The InChIKey is CJLKPPBODZTUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8(11(7-13)14-2)9-5-3-4-6-10(9)12/h3-8,11H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-2-methoxybutanal?
3-(2-fluorophenyl)-2-methoxybutanal has a molecular weight of 196.22 g/mol, XLogP of 2.14, 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-methoxybutanal is sourced from PubChem (CID 147233969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).