2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde

C15H10F3NOS — CID 4298784

IUPAC2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3ccc(C(F)(F)F)cc3c2C=O)s1
InChIInChI=1S/C15H10F3NOS/c1-8-2-5-13(21-8)14-11(7-20)10-6-9(15(16,17)18)3-4-12(10)19-14/h2-7,19H,1H3
InChIKeyMOLNYNFPYMYPAW-UHFFFAOYSA-N
MW309.31 g/mol
LogP5.04
Rot. Bonds2

About 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde

2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde (PubChem CID 4298784) has the molecular formula C15H10F3NOS and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
PubChem CID4298784
Molecular FormulaC15H10F3NOS
Molecular Weight309.31 g/mol
Exact Mass309.04
IUPAC Name2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3ccc(C(F)(F)F)cc3c2C=O)s1
InChIInChI=1S/C15H10F3NOS/c1-8-2-5-13(21-8)14-11(7-20)10-6-9(15(16,17)18)3-4-12(10)19-14/h2-7,19H,1H3
InChIKeyMOLNYNFPYMYPAW-UHFFFAOYSA-N
XLogP5.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.31
LogP ≤ 55.04
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

3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile
CID 3261971
2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3712734
2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3538844
2-chloro-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 82383642
2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde
CID 5238228
7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3799575
7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3590182
2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455824
3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 3710473
2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde
CID 82050108
3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde
CID 177468956
2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole
CID 118325089

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde (CID 4298784) is 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde is Cc1ccc(-c2[nH]c3ccc(C(F)(F)F)cc3c2C=O)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The InChIKey is MOLNYNFPYMYPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NOS/c1-8-2-5-13(21-8)14-11(7-20)10-6-9(15(16,17)18)3-4-12(10)19-14/h2-7,19H,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde?
2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde has a molecular weight of 309.31 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 4298784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).