3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride

C7H12ClF3N2 — CID 174993248

IUPAC3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride
SMILESC/N=C/C(=CN(C)C)C(F)(F)F.Cl
InChIInChI=1S/C7H11F3N2.ClH/c1-11-4-6(5-12(2)3)7(8,9)10;/h4-5H,1-3H3;1H/b6-5?,11-4+;
InChIKeyIUCKMLOASIVEDM-OSGIYJEFSA-N
MW216.63 g/mol
LogP2.12
Rot. Bonds2

About 3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride

3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride (PubChem CID 174993248) has the molecular formula C7H12ClF3N2 and a molecular weight of 216.63 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride
PubChem CID174993248
Molecular FormulaC7H12ClF3N2
Molecular Weight216.63 g/mol
Exact Mass216.06
IUPAC Name3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride
SMILESC/N=C/C(=CN(C)C)C(F)(F)F.Cl
InChIInChI=1S/C7H11F3N2.ClH/c1-11-4-6(5-12(2)3)7(8,9)10;/h4-5H,1-3H3;1H/b6-5?,11-4+;
InChIKeyIUCKMLOASIVEDM-OSGIYJEFSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride?
The IUPAC name of 3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride (CID 174993248) is 3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride?
The canonical SMILES for 3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride is C/N=C/C(=CN(C)C)C(F)(F)F.Cl.
What is the InChIKey of 3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride?
The InChIKey is IUCKMLOASIVEDM-OSGIYJEFSA-N. The full InChI is InChI=1S/C7H11F3N2.ClH/c1-11-4-6(5-12(2)3)7(8,9)10;/h4-5H,1-3H3;1H/b6-5?,11-4+;.
What are the key properties of 3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride?
3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride has a molecular weight of 216.63 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine;hydrochloride is sourced from PubChem (CID 174993248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).