1-ethyl-3-fluoroindole-2-carbaldehyde

C11H10FNO — CID 89272565

IUPAC1-ethyl-3-fluoroindole-2-carbaldehyde
SMILESCCn1c(C=O)c(F)c2ccccc21
InChIInChI=1S/C11H10FNO/c1-2-13-9-6-4-3-5-8(9)11(12)10(13)7-14/h3-7H,2H2,1H3
InChIKeyYYKVKXODBHYHGS-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.61
Rot. Bonds2

About 1-ethyl-3-fluoroindole-2-carbaldehyde

1-ethyl-3-fluoroindole-2-carbaldehyde (PubChem CID 89272565) has the molecular formula C11H10FNO and a molecular weight of 191.21 g/mol. Its IUPAC name is 1-ethyl-3-fluoroindole-2-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-3-fluoroindole-2-carbaldehyde
PubChem CID89272565
Molecular FormulaC11H10FNO
Molecular Weight191.21 g/mol
Exact Mass191.07
IUPAC Name1-ethyl-3-fluoroindole-2-carbaldehyde
SMILESCCn1c(C=O)c(F)c2ccccc21
InChIInChI=1S/C11H10FNO/c1-2-13-9-6-4-3-5-8(9)11(12)10(13)7-14/h3-7H,2H2,1H3
InChIKeyYYKVKXODBHYHGS-UHFFFAOYSA-N
XLogP2.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoroindole-2-carbaldehyde?
The IUPAC name of 1-ethyl-3-fluoroindole-2-carbaldehyde (CID 89272565) is 1-ethyl-3-fluoroindole-2-carbaldehyde.
What is the SMILES notation for 1-ethyl-3-fluoroindole-2-carbaldehyde?
The canonical SMILES for 1-ethyl-3-fluoroindole-2-carbaldehyde is CCn1c(C=O)c(F)c2ccccc21.
What is the InChIKey of 1-ethyl-3-fluoroindole-2-carbaldehyde?
The InChIKey is YYKVKXODBHYHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-2-13-9-6-4-3-5-8(9)11(12)10(13)7-14/h3-7H,2H2,1H3.
What are the key properties of 1-ethyl-3-fluoroindole-2-carbaldehyde?
1-ethyl-3-fluoroindole-2-carbaldehyde has a molecular weight of 191.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoroindole-2-carbaldehyde is sourced from PubChem (CID 89272565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).