2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde

C14H14F3NO — CID 117194285

IUPAC2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde
SMILESCC(C)n1c(CC=O)cc2c(C(F)(F)F)cccc21
InChIInChI=1S/C14H14F3NO/c1-9(2)18-10(6-7-19)8-11-12(14(15,16)17)4-3-5-13(11)18/h3-5,7-9H,6H2,1-2H3
InChIKeyHPXWEFGSZFIMNN-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.98
Rot. Bonds3

About 2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde

2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde (PubChem CID 117194285) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde
PubChem CID117194285
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde
SMILESCC(C)n1c(CC=O)cc2c(C(F)(F)F)cccc21
InChIInChI=1S/C14H14F3NO/c1-9(2)18-10(6-7-19)8-11-12(14(15,16)17)4-3-5-13(11)18/h3-5,7-9H,6H2,1-2H3
InChIKeyHPXWEFGSZFIMNN-UHFFFAOYSA-N
XLogP3.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol
CID 117120272
2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194359
2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194499
2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194619
3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117120307
2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 115006203
2-(4-fluoro-1-methylindol-2-yl)acetaldehyde
CID 117194443
2,2-dimethyl-3-[1-methyl-4-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117194282
1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine
CID 117173709
2-(1,4-dimethylindol-2-yl)acetaldehyde
CID 117194342
2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117120348
1-propan-2-yl-2-(sulfanylmethyl)indole-4-carboxylic acid
CID 117174139

Frequently Asked Questions

What is the IUPAC name of 2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde?
The IUPAC name of 2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde (CID 117194285) is 2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde.
What is the SMILES notation for 2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde?
The canonical SMILES for 2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde is CC(C)n1c(CC=O)cc2c(C(F)(F)F)cccc21.
What is the InChIKey of 2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde?
The InChIKey is HPXWEFGSZFIMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-9(2)18-10(6-7-19)8-11-12(14(15,16)17)4-3-5-13(11)18/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde?
2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde has a molecular weight of 269.27 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde is sourced from PubChem (CID 117194285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).