7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde

C10H7FO2 — CID 164603309

IUPAC7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde
SMILESO=Cc1cc(F)c2c(c1)CCC2=O
InChIInChI=1S/C10H7FO2/c11-8-4-6(5-12)3-7-1-2-9(13)10(7)8/h3-5H,1-2H2
InChIKeyJISFZYUMQOZSQK-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.77
Rot. Bonds1

About 7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde

7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde (PubChem CID 164603309) has the molecular formula C10H7FO2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde
PubChem CID164603309
Molecular FormulaC10H7FO2
Molecular Weight178.16 g/mol
Exact Mass178.04
IUPAC Name7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde
SMILESO=Cc1cc(F)c2c(c1)CCC2=O
InChIInChI=1S/C10H7FO2/c11-8-4-6(5-12)3-7-1-2-9(13)10(7)8/h3-5H,1-2H2
InChIKeyJISFZYUMQOZSQK-UHFFFAOYSA-N
XLogP1.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.77
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-1-oxo-2,3-dihydroindene-5-carboxylic acid
CID 55297061
8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 130038645
2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
CID 170903437
5,7-dichloro-2,3-dihydroinden-1-one
CID 22292346
2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde
CID 143858625
tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde
CID 101344698
3,5-difluoro-4-methylsulfonylbenzaldehyde
CID 11499527
4-acetyl-3,5-difluorobenzaldehyde
CID 170901914
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde
CID 103497651
4-(2,4,6-trifluorophenyl)benzaldehyde
CID 54910403
5-chloro-7-hydroxy-2,3-dihydroinden-1-one
CID 127255743
3-fluoro-4-hydroxy-5-methylbenzaldehyde
CID 58240544

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde?
The IUPAC name of 7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde (CID 164603309) is 7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde.
What is the SMILES notation for 7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde?
The canonical SMILES for 7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde is O=Cc1cc(F)c2c(c1)CCC2=O.
What is the InChIKey of 7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde?
The InChIKey is JISFZYUMQOZSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2/c11-8-4-6(5-12)3-7-1-2-9(13)10(7)8/h3-5H,1-2H2.
What are the key properties of 7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde?
7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde has a molecular weight of 178.16 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-oxo-2,3-dihydroindene-5-carbaldehyde is sourced from PubChem (CID 164603309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).