2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole

C10H10F3N — CID 170614128

IUPAC2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole
SMILESCCN1Cc2c(F)cc(F)c(F)c2C1
InChIInChI=1S/C10H10F3N/c1-2-14-4-6-7(5-14)10(13)9(12)3-8(6)11/h3H,2,4-5H2,1H3
InChIKeyQAMBNIFOYUQIIL-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.44
Rot. Bonds1

About 2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole

2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole (PubChem CID 170614128) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole
PubChem CID170614128
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole
SMILESCCN1Cc2c(F)cc(F)c(F)c2C1
InChIInChI=1S/C10H10F3N/c1-2-14-4-6-7(5-14)10(13)9(12)3-8(6)11/h3H,2,4-5H2,1H3
InChIKeyQAMBNIFOYUQIIL-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole?
The IUPAC name of 2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole (CID 170614128) is 2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole.
What is the SMILES notation for 2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole?
The canonical SMILES for 2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole is CCN1Cc2c(F)cc(F)c(F)c2C1.
What is the InChIKey of 2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole?
The InChIKey is QAMBNIFOYUQIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c1-2-14-4-6-7(5-14)10(13)9(12)3-8(6)11/h3H,2,4-5H2,1H3.
What are the key properties of 2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole?
2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole has a molecular weight of 201.19 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole is sourced from PubChem (CID 170614128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).