4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde

C11H9FO2 — CID 174424629

IUPAC4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde
SMILESO=CC1CC(c2ccc(F)cc2)=CO1
InChIInChI=1S/C11H9FO2/c12-10-3-1-8(2-4-10)9-5-11(6-13)14-7-9/h1-4,6-7,11H,5H2
InChIKeyXNJAKXSUSFLMEO-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.15
Rot. Bonds2

About 4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde

4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde (PubChem CID 174424629) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde
PubChem CID174424629
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde
SMILESO=CC1CC(c2ccc(F)cc2)=CO1
InChIInChI=1S/C11H9FO2/c12-10-3-1-8(2-4-10)9-5-11(6-13)14-7-9/h1-4,6-7,11H,5H2
InChIKeyXNJAKXSUSFLMEO-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.15
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 4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde (CID 174424629) is 4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde is O=CC1CC(c2ccc(F)cc2)=CO1.
What is the InChIKey of 4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde?
The InChIKey is XNJAKXSUSFLMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2/c12-10-3-1-8(2-4-10)9-5-11(6-13)14-7-9/h1-4,6-7,11H,5H2.
What are the key properties of 4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde?
4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde has a molecular weight of 192.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,3-dihydrofuran-2-carbaldehyde is sourced from PubChem (CID 174424629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).