5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole

C9H7ClF3N — CID 83486702

IUPAC5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)C1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C9H7ClF3N/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13/h1-3,8,14H,4H2
InChIKeyRVRLHXKSYXVRNQ-UHFFFAOYSA-N
MW221.61 g/mol
LogP3.24
Rot. Bonds

About 5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole

5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 83486702) has the molecular formula C9H7ClF3N and a molecular weight of 221.61 g/mol. Its IUPAC name is 5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID83486702
Molecular FormulaC9H7ClF3N
Molecular Weight221.61 g/mol
Exact Mass221.02
IUPAC Name5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)C1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C9H7ClF3N/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13/h1-3,8,14H,4H2
InChIKeyRVRLHXKSYXVRNQ-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-2-(trifluoromethyl)-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

6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 21445338
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83488810
1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
CID 83868576
6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 70866710
7-chloro-2-ethenyl-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 90723595
(2R)-7-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 130682483
1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine
CID 117201101
ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 142661958
methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 21344957
(2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 130642989
5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol
CID 129392202
(3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 154640215

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 83486702) is 5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole is FC(F)(F)C1Cc2cc(Cl)ccc2N1.
What is the InChIKey of 5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is RVRLHXKSYXVRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13/h1-3,8,14H,4H2.
What are the key properties of 5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 221.61 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 83486702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).