2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde

C17H14FNO — CID 3817795

IUPAC2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde
SMILESCc1ccc2c(C=O)c(-c3ccc(F)cc3)[nH]c2c1C
InChIInChI=1S/C17H14FNO/c1-10-3-8-14-15(9-20)17(19-16(14)11(10)2)12-4-6-13(18)7-5-12/h3-9,19H,1-2H3
InChIKeyZECPURCIOANCKC-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.40
Rot. Bonds2

About 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde

2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde (PubChem CID 3817795) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde
PubChem CID3817795
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde
SMILESCc1ccc2c(C=O)c(-c3ccc(F)cc3)[nH]c2c1C
InChIInChI=1S/C17H14FNO/c1-10-3-8-14-15(9-20)17(19-16(14)11(10)2)12-4-6-13(18)7-5-12/h3-9,19H,1-2H3
InChIKeyZECPURCIOANCKC-UHFFFAOYSA-N
XLogP4.40
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.40
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-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde (CID 3817795) is 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde is Cc1ccc2c(C=O)c(-c3ccc(F)cc3)[nH]c2c1C.
What is the InChIKey of 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde?
The InChIKey is ZECPURCIOANCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-10-3-8-14-15(9-20)17(19-16(14)11(10)2)12-4-6-13(18)7-5-12/h3-9,19H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde?
2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde has a molecular weight of 267.30 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3817795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).