2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide

C8H15F3IN3 — CID 111800815

IUPAC2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCC(F)(F)F.I
InChIInChI=1S/C8H14F3N3.HI/c1-6(2)5-14-7(12)13-4-3-8(9,10)11;/h1,3-5H2,2H3,(H3,12,13,14);1H
InChIKeyTUYPFMUWTNSONV-UHFFFAOYSA-N
MW337.13 g/mol
LogP2.04
Rot. Bonds4

About 2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide

2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide (PubChem CID 111800815) has the molecular formula C8H15F3IN3 and a molecular weight of 337.13 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide
PubChem CID111800815
Molecular FormulaC8H15F3IN3
Molecular Weight337.13 g/mol
Exact Mass337.03
IUPAC Name2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCC(F)(F)F.I
InChIInChI=1S/C8H14F3N3.HI/c1-6(2)5-14-7(12)13-4-3-8(9,10)11;/h1,3-5H2,2H3,(H3,12,13,14);1H
InChIKeyTUYPFMUWTNSONV-UHFFFAOYSA-N
XLogP2.04
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 52.04
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111066520
2-(2-Methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111066521
2-Methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111548418
2-Methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111548419
2-(2-Methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine
CID 111800816
2-(2-Methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111803219
2-(2-Methylprop-2-enyl)-1-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 112412213
2-(2-Methylprop-2-enyl)-1-(5,5,5-trifluoropentyl)guanidine
CID 112412214
1-(3,3-Difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 120514535
1-(3,3-Difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine
CID 120514536
1-(2-Methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 120973288
1-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-(2-methylprop-2-enyl)guanidine
CID 121767231

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide (CID 111800815) is 2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide is C=C(C)C/N=C(\N)NCCC(F)(F)F.I.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The InChIKey is TUYPFMUWTNSONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3.HI/c1-6(2)5-14-7(12)13-4-3-8(9,10)11;/h1,3-5H2,2H3,(H3,12,13,14);1H.
What are the key properties of 2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide has a molecular weight of 337.13 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide is sourced from PubChem (CID 111800815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).