5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde

C10H7FO3 — CID 82401512

IUPAC5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde
SMILESCOc1oc2ccc(F)cc2c1C=O
InChIInChI=1S/C10H7FO3/c1-13-10-8(5-12)7-4-6(11)2-3-9(7)14-10/h2-5H,1H3
InChIKeyIOUUBPMLZCRILY-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.39
Rot. Bonds2

About 5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde

5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde (PubChem CID 82401512) has the molecular formula C10H7FO3 and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde
PubChem CID82401512
Molecular FormulaC10H7FO3
Molecular Weight194.16 g/mol
Exact Mass194.04
IUPAC Name5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde
SMILESCOc1oc2ccc(F)cc2c1C=O
InChIInChI=1S/C10H7FO3/c1-13-10-8(5-12)7-4-6(11)2-3-9(7)14-10/h2-5H,1H3
InChIKeyIOUUBPMLZCRILY-UHFFFAOYSA-N
XLogP2.39
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-2-oxochromene-4-carbaldehyde
CID 139198666
2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde
CID 139644441
2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde
CID 36995432
3-ethenyl-6-fluoro-4-methylchromen-2-one
CID 24787267
6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 66573995
5-fluoro-3-methoxy-1H-indole-2-carbaldehyde
CID 82402316
5-fluoro-1-benzofuran-3-carbaldehyde
CID 25129802
2-fluoro-10-methoxybenzo[b]xanthen-12-one
CID 135167611
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carbaldehyde
CID 88901035
2-chloro-5-fluoro-1-(2-methoxyethyl)indole-3-carbaldehyde
CID 82268802

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde?
The IUPAC name of 5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde (CID 82401512) is 5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde is COc1oc2ccc(F)cc2c1C=O.
What is the InChIKey of 5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde?
The InChIKey is IOUUBPMLZCRILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3/c1-13-10-8(5-12)7-4-6(11)2-3-9(7)14-10/h2-5H,1H3.
What are the key properties of 5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde?
5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde has a molecular weight of 194.16 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 82401512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).