N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride

C11H14Cl2F3N — CID 67046261

IUPACN-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride
SMILESCN(Cc1ccc(CCl)cc1)CC(F)(F)F.Cl
InChIInChI=1S/C11H13ClF3N.ClH/c1-16(8-11(13,14)15)7-10-4-2-9(6-12)3-5-10;/h2-5H,6-8H2,1H3;1H
InChIKeyZSZTVGLGNUNZHL-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.84
Rot. Bonds4

About N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride

N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride (PubChem CID 67046261) has the molecular formula C11H14Cl2F3N and a molecular weight of 288.14 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride
PubChem CID67046261
Molecular FormulaC11H14Cl2F3N
Molecular Weight288.14 g/mol
Exact Mass287.05
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride
SMILESCN(Cc1ccc(CCl)cc1)CC(F)(F)F.Cl
InChIInChI=1S/C11H13ClF3N.ClH/c1-16(8-11(13,14)15)7-10-4-2-9(6-12)3-5-10;/h2-5H,6-8H2,1H3;1H
InChIKeyZSZTVGLGNUNZHL-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride (CID 67046261) is N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride is CN(Cc1ccc(CCl)cc1)CC(F)(F)F.Cl.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride?
The InChIKey is ZSZTVGLGNUNZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N.ClH/c1-16(8-11(13,14)15)7-10-4-2-9(6-12)3-5-10;/h2-5H,6-8H2,1H3;1H.
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride?
N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride has a molecular weight of 288.14 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride is sourced from PubChem (CID 67046261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).