5-fluoro-1-benzofuran-2-carbaldehyde

C9H5FO2 — CID 10844747

IUPAC5-fluoro-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2cc(F)ccc2o1
InChIInChI=1S/C9H5FO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
InChIKeyHAZDVFKNOIHCBQ-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.38
Rot. Bonds1

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

5-fluoro-1-benzofuran-2-carbaldehyde (PubChem CID 10844747) has the molecular formula C9H5FO2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 5-fluoro-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-1-benzofuran-2-carbaldehyde
PubChem CID10844747
Molecular FormulaC9H5FO2
Molecular Weight164.13 g/mol
Exact Mass164.03
IUPAC Name5-fluoro-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2cc(F)ccc2o1
InChIInChI=1S/C9H5FO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
InChIKeyHAZDVFKNOIHCBQ-UHFFFAOYSA-N
XLogP2.38
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzofuran-2,5-dicarbaldehyde
CID 18349269
5-[3-fluoro-5-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde
CID 122476549
2-cyano-3-(5-fluoro-1-benzofuran-2-yl)prop-2-enoic acid
CID 71871341
2-cyano-3-(5-fluoro-1-benzofuran-2-yl)prop-2-enamide
CID 71997115
2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran
CID 114735224
5-ethoxy-1-benzofuran-2-carbaldehyde
CID 10559567
1-benzofuran-2-carbaldehyde;methanamine
CID 143075109
7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde
CID 65428039
5-bromo-4-fluoro-1-benzofuran-2-carbaldehyde
CID 166805161
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
(5-fluoro-1-benzofuran-2-yl) hydrogen carbonate
CID 69363266
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-benzofuran-2-carbaldehyde?
The IUPAC name of 5-fluoro-1-benzofuran-2-carbaldehyde (CID 10844747) is 5-fluoro-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 5-fluoro-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 5-fluoro-1-benzofuran-2-carbaldehyde is O=Cc1cc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-1-benzofuran-2-carbaldehyde?
The InChIKey is HAZDVFKNOIHCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H.
What are the key properties of 5-fluoro-1-benzofuran-2-carbaldehyde?
5-fluoro-1-benzofuran-2-carbaldehyde has a molecular weight of 164.13 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 10844747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).