6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde

C10H9FO2 — CID 105438538

IUPAC6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde
SMILESO=CC1(O)CCc2ccc(F)cc21
InChIInChI=1S/C10H9FO2/c11-8-2-1-7-3-4-10(13,6-12)9(7)5-8/h1-2,5-6,13H,3-4H2
InChIKeyZKJYEJFIUSCJGO-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.16
Rot. Bonds1

About 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde

6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde (PubChem CID 105438538) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde
PubChem CID105438538
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde
SMILESO=CC1(O)CCc2ccc(F)cc21
InChIInChI=1S/C10H9FO2/c11-8-2-1-7-3-4-10(13,6-12)9(7)5-8/h1-2,5-6,13H,3-4H2
InChIKeyZKJYEJFIUSCJGO-UHFFFAOYSA-N
XLogP1.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Flurenol
CID 10087
1-Hydroxy-2-indanone
CID 14914690
9-Hydroxy-9-pivaloylfluorene
CID 132698
(2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one
CID 71467387
Bis(4-fluorophenyl)-2-hydroxyethanone
CID 145723040
6-fluoro-3-hydroxy-3-methyl-2H-inden-1-one
CID 51002767
4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one
CID 102415197
ethyl 2-fluoro-2-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]acetate
CID 134965325
ethyl 2-[(1S)-5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl]acetate
CID 155932128
(S)-(+)-2-hydroxy-2-phenylpropionaldehyde
CID 11137335
1-(9-Hydroxy-9H-fluoren-9-yl)ethan-1-one
CID 12334612
2-Hydroxy-2-phenyl-propionaldehyde
CID 12859206

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde?
The IUPAC name of 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde (CID 105438538) is 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde.
What is the SMILES notation for 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde?
The canonical SMILES for 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde is O=CC1(O)CCc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde?
The InChIKey is ZKJYEJFIUSCJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-8-2-1-7-3-4-10(13,6-12)9(7)5-8/h1-2,5-6,13H,3-4H2.
What are the key properties of 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde?
6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde has a molecular weight of 180.18 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde is sourced from PubChem (CID 105438538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).