7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde

C16H11F2NO2 — CID 3474339

IUPAC7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
SMILESCOc1ccc(F)cc1-c1[nH]c2c(F)cccc2c1C=O
InChIInChI=1S/C16H11F2NO2/c1-21-14-6-5-9(17)7-11(14)15-12(8-20)10-3-2-4-13(18)16(10)19-15/h2-8,19H,1H3
InChIKeyHFNXPSRXAHITHV-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.93
Rot. Bonds3

About 7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde

7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde (PubChem CID 3474339) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is 7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
PubChem CID3474339
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
SMILESCOc1ccc(F)cc1-c1[nH]c2c(F)cccc2c1C=O
InChIInChI=1S/C16H11F2NO2/c1-21-14-6-5-9(17)7-11(14)15-12(8-20)10-3-2-4-13(18)16(10)19-15/h2-8,19H,1H3
InChIKeyHFNXPSRXAHITHV-UHFFFAOYSA-N
XLogP3.93
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.93
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

7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 3798198
5-tert-butyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 5143161
2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3611207
7-fluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3810268
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 5225216
2-(2,3-difluorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 87405106
2-[2-(2,5-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4021038
5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 4640983
2-tert-butyl-7-fluoro-1H-indole-3-carbaldehyde
CID 5131331
7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3753666
7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
CID 166162115
2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde
CID 3753880

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde (CID 3474339) is 7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde is COc1ccc(F)cc1-c1[nH]c2c(F)cccc2c1C=O.
What is the InChIKey of 7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is HFNXPSRXAHITHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c1-21-14-6-5-9(17)7-11(14)15-12(8-20)10-3-2-4-13(18)16(10)19-15/h2-8,19H,1H3.
What are the key properties of 7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde?
7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 287.27 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3474339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).