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

C7H11F3N2 — CID 162558665

IUPAC(Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine
SMILESC/N=C/C(=C/N(C)C)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-11-4-6(5-12(2)3)7(8,9)10/h4-5H,1-3H3/b6-5-,11-4+
InChIKeyPMLAAKBYJXHPNY-VWXLBWAMSA-N
MW180.17 g/mol
LogP1.69
Rot. Bonds2

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

(Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine (PubChem CID 162558665) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine
PubChem CID162558665
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine
SMILESC/N=C/C(=C/N(C)C)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-11-4-6(5-12(2)3)7(8,9)10/h4-5H,1-3H3/b6-5-,11-4+
InChIKeyPMLAAKBYJXHPNY-VWXLBWAMSA-N
XLogP1.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.69
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 (Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine?
The IUPAC name of (Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine (CID 162558665) is (Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine is C/N=C/C(=C/N(C)C)C(F)(F)F.
What is the InChIKey of (Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine?
The InChIKey is PMLAAKBYJXHPNY-VWXLBWAMSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-11-4-6(5-12(2)3)7(8,9)10/h4-5H,1-3H3/b6-5-,11-4+.
What are the key properties of (Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine?
(Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine has a molecular weight of 180.17 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine is sourced from PubChem (CID 162558665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).