1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde

C12H10F3NO — CID 102911175

IUPAC1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(CCC(F)(F)F)c2c1
InChIInChI=1S/C12H10F3NO/c13-12(14,15)4-6-16-5-3-10-2-1-9(8-17)7-11(10)16/h1-3,5,7-8H,4,6H2
InChIKeyMZLZQWLNEWOVHJ-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.41
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde

1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde (PubChem CID 102911175) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde
PubChem CID102911175
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(CCC(F)(F)F)c2c1
InChIInChI=1S/C12H10F3NO/c13-12(14,15)4-6-16-5-3-10-2-1-9(8-17)7-11(10)16/h1-3,5,7-8H,4,6H2
InChIKeyMZLZQWLNEWOVHJ-UHFFFAOYSA-N
XLogP3.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.41
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-(3-hydroxypropyl)indole-6-carbaldehyde
CID 102911092
1-butylindole-6-carbaldehyde
CID 102910960
1-(5-hydroxypentyl)indole-6-carbaldehyde
CID 102911097
1-[3-(dimethylamino)propyl]indole-6-carbaldehyde
CID 102911050
1-(4-methoxybutyl)indole-6-carbaldehyde
CID 102910948
1-(4-phenylbutyl)indole-6-carbaldehyde
CID 102910951
1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde
CID 102911359
1-[(E)-but-2-enyl]indole-6-carbaldehyde
CID 102910985
2-(6-formylindol-1-yl)acetamide
CID 28958282
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
CID 103047362
1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde
CID 102910646
1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
CID 102911304

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde?
The IUPAC name of 1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde (CID 102911175) is 1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde is O=Cc1ccc2ccn(CCC(F)(F)F)c2c1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde?
The InChIKey is MZLZQWLNEWOVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)4-6-16-5-3-10-2-1-9(8-17)7-11(10)16/h1-3,5,7-8H,4,6H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde?
1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde has a molecular weight of 241.21 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde is sourced from PubChem (CID 102911175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).