5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde

C12H11FO2 — CID 87414263

IUPAC5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde
SMILESO=CC1CC=C(Cc2ccc(F)cc2)O1
InChIInChI=1S/C12H11FO2/c13-10-3-1-9(2-4-10)7-11-5-6-12(8-14)15-11/h1-5,8,12H,6-7H2
InChIKeyVSPDNEIMXQZDGD-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.24
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde

5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde (PubChem CID 87414263) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde
PubChem CID87414263
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde
SMILESO=CC1CC=C(Cc2ccc(F)cc2)O1
InChIInChI=1S/C12H11FO2/c13-10-3-1-9(2-4-10)7-11-5-6-12(8-14)15-11/h1-5,8,12H,6-7H2
InChIKeyVSPDNEIMXQZDGD-UHFFFAOYSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.24
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 5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde (CID 87414263) is 5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde is O=CC1CC=C(Cc2ccc(F)cc2)O1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde?
The InChIKey is VSPDNEIMXQZDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c13-10-3-1-9(2-4-10)7-11-5-6-12(8-14)15-11/h1-5,8,12H,6-7H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde?
5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde has a molecular weight of 206.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2,3-dihydrofuran-2-carbaldehyde is sourced from PubChem (CID 87414263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).