2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde

C17H14FNO — CID 5225216

IUPAC2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
SMILESCCc1ccc(-c2[nH]c3c(F)cccc3c2C=O)cc1
InChIInChI=1S/C17H14FNO/c1-2-11-6-8-12(9-7-11)16-14(10-20)13-4-3-5-15(18)17(13)19-16/h3-10,19H,2H2,1H3
InChIKeyQXPUZCYHUCHTPD-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.35
Rot. Bonds3

About 2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde

2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde (PubChem CID 5225216) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
PubChem CID5225216
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
SMILESCCc1ccc(-c2[nH]c3c(F)cccc3c2C=O)cc1
InChIInChI=1S/C17H14FNO/c1-2-11-6-8-12(9-7-11)16-14(10-20)13-4-3-5-15(18)17(13)19-16/h3-10,19H,2H2,1H3
InChIKeyQXPUZCYHUCHTPD-UHFFFAOYSA-N
XLogP4.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde (CID 5225216) is 2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde is CCc1ccc(-c2[nH]c3c(F)cccc3c2C=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde?
The InChIKey is QXPUZCYHUCHTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-2-11-6-8-12(9-7-11)16-14(10-20)13-4-3-5-15(18)17(13)19-16/h3-10,19H,2H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde?
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde has a molecular weight of 267.30 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 5225216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).