2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde

C10H7FO2 — CID 114732770

IUPAC2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde
SMILESO=CCc1cc2cccc(F)c2o1
InChIInChI=1S/C10H7FO2/c11-9-3-1-2-7-6-8(4-5-12)13-10(7)9/h1-3,5-6H,4H2
InChIKeyRLFUCSOFRITONJ-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.31
Rot. Bonds2

About 2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde

2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde (PubChem CID 114732770) has the molecular formula C10H7FO2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde
PubChem CID114732770
Molecular FormulaC10H7FO2
Molecular Weight178.16 g/mol
Exact Mass178.04
IUPAC Name2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde
SMILESO=CCc1cc2cccc(F)c2o1
InChIInChI=1S/C10H7FO2/c11-9-3-1-2-7-6-8(4-5-12)13-10(7)9/h1-3,5-6H,4H2
InChIKeyRLFUCSOFRITONJ-UHFFFAOYSA-N
XLogP2.31
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.31
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

7-fluoro-2-prop-2-enyl-1-benzofuran
CID 114735883
2-(7-fluoro-1-benzofuran-2-yl)ethyl formate
CID 91524112
(7-fluoro-1-benzofuran-2-yl)methanethiol
CID 117182886
1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 65440139
7-fluoro-2-(phenoxymethyl)-1-benzofuran
CID 117182764
1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114733174
3-(7-chloro-1-benzofuran-2-yl)propanal
CID 114733142
N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine
CID 114733328
N-[2-[(7-fluoro-1-benzofuran-2-yl)methylamino]ethyl]adamantane-1-carboxamide
CID 54096773
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine
CID 114733096
(7-fluoro-1-benzofuran-2-yl)-trimethylsilane
CID 130535912

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde?
The IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde (CID 114732770) is 2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde.
What is the SMILES notation for 2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde?
The canonical SMILES for 2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde is O=CCc1cc2cccc(F)c2o1.
What is the InChIKey of 2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde?
The InChIKey is RLFUCSOFRITONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2/c11-9-3-1-2-7-6-8(4-5-12)13-10(7)9/h1-3,5-6H,4H2.
What are the key properties of 2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde?
2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde has a molecular weight of 178.16 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde is sourced from PubChem (CID 114732770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).