2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine

C8H14F3N3 — CID 111548419

IUPAC2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC=CCN/C(=N\C)NCCC(F)(F)F
InChIInChI=1S/C8H14F3N3/c1-3-5-13-7(12-2)14-6-4-8(9,10)11/h3H,1,4-6H2,2H3,(H2,12,13,14)
InChIKeyMHDHCFMUXLBEIF-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.29
Rot. Bonds4

About 2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine

2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 111548419) has the molecular formula C8H14F3N3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID111548419
Molecular FormulaC8H14F3N3
Molecular Weight209.21 g/mol
Exact Mass209.11
IUPAC Name2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC=CCN/C(=N\C)NCCC(F)(F)F
InChIInChI=1S/C8H14F3N3/c1-3-5-13-7(12-2)14-6-4-8(9,10)11/h3H,1,4-6H2,2H3,(H2,12,13,14)
InChIKeyMHDHCFMUXLBEIF-UHFFFAOYSA-N
XLogP1.29
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-1-methyl-1-pent-4-enyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109496213
1,2-Dimethyl-1-pent-4-enyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109497268
2-(2,2-Difluoroethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine
CID 109497288
3-(2,2-Difluoroethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497790
2-Methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982048
2-Methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine
CID 110982049
2-Methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111548418
2-(2-Methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800815
2-(2-Methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine
CID 111800816
2-methyl-1-[(E)-pent-3-enyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111986501
1-ethyl-3-[(E)-pent-3-enyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111986505
2-Methyl-1-prop-2-enyl-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 112430044

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine (CID 111548419) is 2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine is C=CCN/C(=N\C)NCCC(F)(F)F.
What is the InChIKey of 2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is MHDHCFMUXLBEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3/c1-3-5-13-7(12-2)14-6-4-8(9,10)11/h3H,1,4-6H2,2H3,(H2,12,13,14).
What are the key properties of 2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine?
2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 209.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 111548419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).