1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride

C16H14ClF3N2 — CID 155513394

IUPAC1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride
SMILESCl.[H]/N=C1\Cc2ccccc2N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2.ClH/c17-16(18,19)13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-15(21)20;/h1-8,20H,9-10H2;1H/b20-15+;
InChIKeyXRXXWJXVQDIJMX-QMGGKDRNSA-N
MW326.75 g/mol
LogP4.67
Rot. Bonds2

About 1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride

1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride (PubChem CID 155513394) has the molecular formula C16H14ClF3N2 and a molecular weight of 326.75 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride
PubChem CID155513394
Molecular FormulaC16H14ClF3N2
Molecular Weight326.75 g/mol
Exact Mass326.08
IUPAC Name1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride
SMILESCl.[H]/N=C1\Cc2ccccc2N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2.ClH/c17-16(18,19)13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-15(21)20;/h1-8,20H,9-10H2;1H/b20-15+;
InChIKeyXRXXWJXVQDIJMX-QMGGKDRNSA-N
XLogP4.67
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride?
The IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride (CID 155513394) is 1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride.
What is the SMILES notation for 1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride?
The canonical SMILES for 1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride is Cl.[H]/N=C1\Cc2ccccc2N1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride?
The InChIKey is XRXXWJXVQDIJMX-QMGGKDRNSA-N. The full InChI is InChI=1S/C16H13F3N2.ClH/c17-16(18,19)13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-15(21)20;/h1-8,20H,9-10H2;1H/b20-15+;.
What are the key properties of 1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride?
1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride has a molecular weight of 326.75 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indol-2-imine;hydrochloride is sourced from PubChem (CID 155513394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).