4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride

C9H9ClF3N — CID 67486328

IUPAC4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCl.FC(F)(F)c1cccc2c1CNC2
InChIInChI=1S/C9H8F3N.ClH/c10-9(11,12)8-3-1-2-6-4-13-5-7(6)8;/h1-3,13H,4-5H2;1H
InChIKeyXTPDOTXDUZRPAQ-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.73
Rot. Bonds

About 4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride

4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride (PubChem CID 67486328) has the molecular formula C9H9ClF3N and a molecular weight of 223.62 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride
PubChem CID67486328
Molecular FormulaC9H9ClF3N
Molecular Weight223.62 g/mol
Exact Mass223.04
IUPAC Name4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCl.FC(F)(F)c1cccc2c1CNC2
InChIInChI=1S/C9H8F3N.ClH/c10-9(11,12)8-3-1-2-6-4-13-5-7(6)8;/h1-3,13H,4-5H2;1H
InChIKeyXTPDOTXDUZRPAQ-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride?
The IUPAC name of 4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride (CID 67486328) is 4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride?
The canonical SMILES for 4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride is Cl.FC(F)(F)c1cccc2c1CNC2.
What is the InChIKey of 4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride?
The InChIKey is XTPDOTXDUZRPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N.ClH/c10-9(11,12)8-3-1-2-6-4-13-5-7(6)8;/h1-3,13H,4-5H2;1H.
What are the key properties of 4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride?
4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride has a molecular weight of 223.62 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride is sourced from PubChem (CID 67486328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).