7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

C18H18F3N — CID 3269433

IUPAC7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESCC(C)c1cccc2c1NC(c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C18H18F3N/c1-11(2)15-8-4-6-13-10-16(22-17(13)15)12-5-3-7-14(9-12)18(19,20)21/h3-9,11,16,22H,10H2,1-2H3
InChIKeyHFIQYHGWQLZTBL-UHFFFAOYSA-N
MW305.34 g/mol
LogP5.54
Rot. Bonds2

About 7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (PubChem CID 3269433) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
PubChem CID3269433
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESCC(C)c1cccc2c1NC(c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C18H18F3N/c1-11(2)15-8-4-6-13-10-16(22-17(13)15)12-5-3-7-14(9-12)18(19,20)21/h3-9,11,16,22H,10H2,1-2H3
InChIKeyHFIQYHGWQLZTBL-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.34
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole 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

2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
CID 3430415
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
3-[3-(trifluoromethyl)phenyl]pyrazolidine
CID 105469483
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
3,3-dimethyl-5-[3-(trifluoromethyl)phenyl]thiomorpholine
CID 66228533
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
3,3-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,4-thiazinane 1-oxide
CID 66229470
2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3347331
2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 62763612
2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline
CID 71271669
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (CID 3269433) is 7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is CC(C)c1cccc2c1NC(c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of 7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The InChIKey is HFIQYHGWQLZTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N/c1-11(2)15-8-4-6-13-10-16(22-17(13)15)12-5-3-7-14(9-12)18(19,20)21/h3-9,11,16,22H,10H2,1-2H3.
What are the key properties of 7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole has a molecular weight of 305.34 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 3269433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).