2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde

C16H10F3NO — CID 3753880

IUPAC2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde
SMILESCc1ccc(F)c2c(C=O)c(-c3cc(F)ccc3F)[nH]c12
InChIInChI=1S/C16H10F3NO/c1-8-2-4-13(19)14-11(7-21)16(20-15(8)14)10-6-9(17)3-5-12(10)18/h2-7,20H,1H3
InChIKeyYFZMBLDCRWQWGE-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.37
Rot. Bonds2

About 2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde

2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde (PubChem CID 3753880) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde
PubChem CID3753880
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Name2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde
SMILESCc1ccc(F)c2c(C=O)c(-c3cc(F)ccc3F)[nH]c12
InChIInChI=1S/C16H10F3NO/c1-8-2-4-13(19)14-11(7-21)16(20-15(8)14)10-6-9(17)3-5-12(10)18/h2-7,20H,1H3
InChIKeyYFZMBLDCRWQWGE-UHFFFAOYSA-N
XLogP4.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde
CID 3781970
2-(2-chlorophenyl)-4,7-dimethyl-1H-indole-3-carbaldehyde
CID 3829817
4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 3460263
7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 3474339
4-(2,5-difluorophenyl)-3-methylbenzaldehyde
CID 81446927
2-(2,3-difluorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 87405106
2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde
CID 3817795
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
CID 105408282
2,6-difluoro-3-methylbenzaldehyde
CID 2774137
2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
CID 3750935
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde (CID 3753880) is 2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde is Cc1ccc(F)c2c(C=O)c(-c3cc(F)ccc3F)[nH]c12.
What is the InChIKey of 2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde?
The InChIKey is YFZMBLDCRWQWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO/c1-8-2-4-13(19)14-11(7-21)16(20-15(8)14)10-6-9(17)3-5-12(10)18/h2-7,20H,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde?
2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde has a molecular weight of 289.26 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3753880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).