2-(6-fluoroindol-1-yl)acetaldehyde

C10H8FNO — CID 62025779

IUPAC2-(6-fluoroindol-1-yl)acetaldehyde
SMILESO=CCn1ccc2ccc(F)cc21
InChIInChI=1S/C10H8FNO/c11-9-2-1-8-3-4-12(5-6-13)10(8)7-9/h1-4,6-7H,5H2
InChIKeyOIBBABBPMHJEID-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.98
Rot. Bonds2

About 2-(6-fluoroindol-1-yl)acetaldehyde

2-(6-fluoroindol-1-yl)acetaldehyde (PubChem CID 62025779) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-(6-fluoroindol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-fluoroindol-1-yl)acetaldehyde
PubChem CID62025779
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name2-(6-fluoroindol-1-yl)acetaldehyde
SMILESO=CCn1ccc2ccc(F)cc21
InChIInChI=1S/C10H8FNO/c11-9-2-1-8-3-4-12(5-6-13)10(8)7-9/h1-4,6-7H,5H2
InChIKeyOIBBABBPMHJEID-UHFFFAOYSA-N
XLogP1.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.98
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

3-(6-fluoroindol-1-yl)propanal
CID 63040201
cobalt;1-ethyl-6-fluoroindole
CID 58657570
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole
CID 116619963
2-(6-fluoroindazol-1-yl)acetaldehyde
CID 83827825
1-(6-fluoroindol-1-yl)propan-2-ol
CID 10488020
4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde
CID 29129372
6-(6-fluoroindol-1-yl)hexan-2-one
CID 62025777
2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine
CID 62564083
2-(5-methylindol-1-yl)acetaldehyde
CID 63554780
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
CID 43443827

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroindol-1-yl)acetaldehyde?
The IUPAC name of 2-(6-fluoroindol-1-yl)acetaldehyde (CID 62025779) is 2-(6-fluoroindol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(6-fluoroindol-1-yl)acetaldehyde?
The canonical SMILES for 2-(6-fluoroindol-1-yl)acetaldehyde is O=CCn1ccc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoroindol-1-yl)acetaldehyde?
The InChIKey is OIBBABBPMHJEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-9-2-1-8-3-4-12(5-6-13)10(8)7-9/h1-4,6-7H,5H2.
What are the key properties of 2-(6-fluoroindol-1-yl)acetaldehyde?
2-(6-fluoroindol-1-yl)acetaldehyde has a molecular weight of 177.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroindol-1-yl)acetaldehyde is sourced from PubChem (CID 62025779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).