1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone

C10H7ClF3NO — CID 89131193

IUPAC1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCc2cc(Cl)ccc21)C(F)(F)F
InChIInChI=1S/C10H7ClF3NO/c11-7-1-2-8-6(5-7)3-4-15(8)9(16)10(12,13)14/h1-2,5H,3-4H2
InChIKeySMCCVDVMBIZLTL-UHFFFAOYSA-N
MW249.62 g/mol
LogP2.79
Rot. Bonds

About 1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone

1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone (PubChem CID 89131193) has the molecular formula C10H7ClF3NO and a molecular weight of 249.62 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone
PubChem CID89131193
Molecular FormulaC10H7ClF3NO
Molecular Weight249.62 g/mol
Exact Mass249.02
IUPAC Name1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCc2cc(Cl)ccc21)C(F)(F)F
InChIInChI=1S/C10H7ClF3NO/c11-7-1-2-8-6(5-7)3-4-15(8)9(16)10(12,13)14/h1-2,5H,3-4H2
InChIKeySMCCVDVMBIZLTL-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone (CID 89131193) is 1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone is O=C(N1CCc2cc(Cl)ccc21)C(F)(F)F.
What is the InChIKey of 1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is SMCCVDVMBIZLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3NO/c11-7-1-2-8-6(5-7)3-4-15(8)9(16)10(12,13)14/h1-2,5H,3-4H2.
What are the key properties of 1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone?
1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 249.62 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydroindol-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 89131193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).