2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde

C15H11FO2 — CID 114078436

IUPAC2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1-c1ccc2c(c1)COC2
InChIInChI=1S/C15H11FO2/c16-14-3-4-15(12(6-14)7-17)10-1-2-11-8-18-9-13(11)5-10/h1-7H,8-9H2
InChIKeyFHIIDOCJCKZAJJ-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.34
Rot. Bonds2

About 2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde

2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde (PubChem CID 114078436) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde
PubChem CID114078436
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1-c1ccc2c(c1)COC2
InChIInChI=1S/C15H11FO2/c16-14-3-4-15(12(6-14)7-17)10-1-2-11-8-18-9-13(11)5-10/h1-7H,8-9H2
InChIKeyFHIIDOCJCKZAJJ-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde
CID 63021641
2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde
CID 114077830
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazole-4-carbaldehyde
CID 66232952
1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde
CID 130026369
3-(1,3-dihydro-2-benzofuran-5-yl)-1-propan-2-ylpyrazole-4-carbaldehyde
CID 66232962
5-(2,4-difluorophenyl)-2-fluorobenzaldehyde
CID 61033868
7-fluoro-1H-isochromen-4-one
CID 71433199
3-(1,3-dihydro-2-benzofuran-5-yl)-1-propylpyrazole-4-carbaldehyde
CID 66233166
N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine
CID 81441574
2-(2-bromophenyl)-5-fluorobenzaldehyde
CID 71600185
1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone
CID 114029198
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde (CID 114078436) is 2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde is O=Cc1cc(F)ccc1-c1ccc2c(c1)COC2.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde?
The InChIKey is FHIIDOCJCKZAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c16-14-3-4-15(12(6-14)7-17)10-1-2-11-8-18-9-13(11)5-10/h1-7H,8-9H2.
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde?
2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde has a molecular weight of 242.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde is sourced from PubChem (CID 114078436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).