1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine

C7H10F3N3 — CID 91365448

IUPAC1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine
SMILESC=N/C(=N\CC(F)(F)F)NC(=C)C
InChIInChI=1S/C7H10F3N3/c1-5(2)13-6(11-3)12-4-7(8,9)10/h1,3-4H2,2H3,(H,12,13)
InChIKeyZDIIUQWELMVRLF-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.73
Rot. Bonds2

About 1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine

1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine (PubChem CID 91365448) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine
PubChem CID91365448
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine
SMILESC=N/C(=N\CC(F)(F)F)NC(=C)C
InChIInChI=1S/C7H10F3N3/c1-5(2)13-6(11-3)12-4-7(8,9)10/h1,3-4H2,2H3,(H,12,13)
InChIKeyZDIIUQWELMVRLF-UHFFFAOYSA-N
XLogP1.73
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine (CID 91365448) is 1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine is C=N/C(=N\CC(F)(F)F)NC(=C)C.
What is the InChIKey of 1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is ZDIIUQWELMVRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-5(2)13-6(11-3)12-4-7(8,9)10/h1,3-4H2,2H3,(H,12,13).
What are the key properties of 1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine?
1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 193.17 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-3-prop-1-en-2-yl-2-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 91365448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).