1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde

C12H10F3NO2 — CID 102910646

IUPAC1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2CCOC(F)(F)F)c1
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)18-6-5-16-4-3-10-7-9(8-17)1-2-11(10)16/h1-4,7-8H,5-6H2
InChIKeyJUPHHZKCIIDLFD-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.99
Rot. Bonds4

About 1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde

1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde (PubChem CID 102910646) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde
PubChem CID102910646
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2CCOC(F)(F)F)c1
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)18-6-5-16-4-3-10-7-9(8-17)1-2-11(10)16/h1-4,7-8H,5-6H2
InChIKeyJUPHHZKCIIDLFD-UHFFFAOYSA-N
XLogP2.99
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hept-6-enylindole-5-carbaldehyde
CID 107008123
1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde
CID 102911175
methyl 2-(5-formylindol-1-yl)acetate
CID 102910523
1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163
1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
CID 102910740
1-(2-methylbutyl)indole-5-carbaldehyde
CID 102910471
1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde
CID 102911359
1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde
CID 102910663
1-[(4-chloro-2-fluorophenyl)methyl]indole-5-carbaldehyde
CID 102910413
1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde
CID 102910670
1-(cyclohexylmethyl)indole-5-carbaldehyde
CID 102910537
1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde
CID 102910664

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde?
The IUPAC name of 1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde (CID 102910646) is 1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde is O=Cc1ccc2c(ccn2CCOC(F)(F)F)c1.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde?
The InChIKey is JUPHHZKCIIDLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c13-12(14,15)18-6-5-16-4-3-10-7-9(8-17)1-2-11(10)16/h1-4,7-8H,5-6H2.
What are the key properties of 1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde?
1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde has a molecular weight of 257.21 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde is sourced from PubChem (CID 102910646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).