1-(trifluoromethoxy)indole-2-carbaldehyde

C10H6F3NO2 — CID 154019793

IUPAC1-(trifluoromethoxy)indole-2-carbaldehyde
SMILESO=Cc1cc2ccccc2n1OC(F)(F)F
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)16-14-8(6-15)5-7-3-1-2-4-9(7)14/h1-6H
InChIKeyBNJNSZLPLDBHKN-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.40
Rot. Bonds2

About 1-(trifluoromethoxy)indole-2-carbaldehyde

1-(trifluoromethoxy)indole-2-carbaldehyde (PubChem CID 154019793) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 1-(trifluoromethoxy)indole-2-carbaldehyde.

Molecular Properties

Compound Name1-(trifluoromethoxy)indole-2-carbaldehyde
PubChem CID154019793
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name1-(trifluoromethoxy)indole-2-carbaldehyde
SMILESO=Cc1cc2ccccc2n1OC(F)(F)F
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)16-14-8(6-15)5-7-3-1-2-4-9(7)14/h1-6H
InChIKeyBNJNSZLPLDBHKN-UHFFFAOYSA-N
XLogP2.40
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.40
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-(methoxymethoxy)indole-2-carbaldehyde
CID 10856622
1-cyclopropylindole-2-carbaldehyde
CID 115016882
1-(4-methoxyphenyl)indole-2-carbaldehyde
CID 139887469
1-(furan-2-yl)indole-2-carbaldehyde
CID 139887499
1-(trifluoromethylsulfonyloxy)indole-2-carboxylic acid
CID 91329535
5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde
CID 57257741
1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde
CID 122702906
(E)-3-(1-methylindol-2-yl)prop-2-enal
CID 146445442
1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde
CID 71368514
2-hydroxyindole-1-carbaldehyde
CID 57004350
1-(trifluoromethyl)indole-2-carboxamide
CID 141282028
(E)-3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indol-2-yl]prop-2-enoic acid
CID 68687624

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)indole-2-carbaldehyde?
The IUPAC name of 1-(trifluoromethoxy)indole-2-carbaldehyde (CID 154019793) is 1-(trifluoromethoxy)indole-2-carbaldehyde.
What is the SMILES notation for 1-(trifluoromethoxy)indole-2-carbaldehyde?
The canonical SMILES for 1-(trifluoromethoxy)indole-2-carbaldehyde is O=Cc1cc2ccccc2n1OC(F)(F)F.
What is the InChIKey of 1-(trifluoromethoxy)indole-2-carbaldehyde?
The InChIKey is BNJNSZLPLDBHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)16-14-8(6-15)5-7-3-1-2-4-9(7)14/h1-6H.
What are the key properties of 1-(trifluoromethoxy)indole-2-carbaldehyde?
1-(trifluoromethoxy)indole-2-carbaldehyde has a molecular weight of 229.16 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)indole-2-carbaldehyde is sourced from PubChem (CID 154019793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).