2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone

C15H10F3NO — CID 116554224

IUPAC2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc2c(c1)CCN2)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H10F3NO/c16-11-3-2-10(13(17)14(11)18)15(20)9-1-4-12-8(7-9)5-6-19-12/h1-4,7,19H,5-6H2
InChIKeyDCIZJKMXAXNHPY-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.30
Rot. Bonds2

About 2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone

2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone (PubChem CID 116554224) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone
PubChem CID116554224
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc2c(c1)CCN2)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H10F3NO/c16-11-3-2-10(13(17)14(11)18)15(20)9-1-4-12-8(7-9)5-6-19-12/h1-4,7,19H,5-6H2
InChIKeyDCIZJKMXAXNHPY-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone
CID 116554439
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554328
N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325563
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
CID 116554075
(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 116611865
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554428
2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone
CID 116554112
2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114736267
N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43438489
N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide
CID 63252893

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone (CID 116554224) is 2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone is O=C(c1ccc2c(c1)CCN2)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone?
The InChIKey is DCIZJKMXAXNHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-11-3-2-10(13(17)14(11)18)15(20)9-1-4-12-8(7-9)5-6-19-12/h1-4,7,19H,5-6H2.
What are the key properties of 2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone?
2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone has a molecular weight of 277.25 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 116554224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).