1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone

C10H10F3NO — CID 173143632

IUPAC1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC2C=CC=CC21)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9(15)14-6-5-7-3-1-2-4-8(7)14/h1-4,7-8H,5-6H2
InChIKeyOXSXKLMWXVECFL-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.89
Rot. Bonds

About 1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone

1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone (PubChem CID 173143632) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone
PubChem CID173143632
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC2C=CC=CC21)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9(15)14-6-5-7-3-1-2-4-8(7)14/h1-4,7-8H,5-6H2
InChIKeyOXSXKLMWXVECFL-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone (CID 173143632) is 1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone is O=C(N1CCC2C=CC=CC21)C(F)(F)F.
What is the InChIKey of 1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is OXSXKLMWXVECFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)9(15)14-6-5-7-3-1-2-4-8(7)14/h1-4,7-8H,5-6H2.
What are the key properties of 1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone?
1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 217.19 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,7a-tetrahydroindol-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 173143632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).