2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine

C10H17F3N4 — CID 110916960

IUPAC2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
SMILESC=CC/N=C(\N)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H17F3N4/c1-2-4-15-9(14)16-8-3-5-17(6-8)7-10(11,12)13/h2,8H,1,3-7H2,(H3,14,15,16)
InChIKeyZVFSCJBVAUFHFI-UHFFFAOYSA-N
MW250.27 g/mol
LogP0.71
Rot. Bonds4

About 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine

2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine (PubChem CID 110916960) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine.

Molecular Properties

Compound Name2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
PubChem CID110916960
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
SMILESC=CC/N=C(\N)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H17F3N4/c1-2-4-15-9(14)16-8-3-5-17(6-8)7-10(11,12)13/h2,8H,1,3-7H2,(H3,14,15,16)
InChIKeyZVFSCJBVAUFHFI-UHFFFAOYSA-N
XLogP0.71
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-(2-Methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 75533014
2-Methyl-1-prop-2-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 71879086
2-Methyl-1-prop-2-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 71879087
2-(2-Methylpropyl)-1-prop-2-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 71931268
1-Butyl-3-prop-2-enyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 75462596
2-(2-Methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 75533013
2-(2-methylprop-2-enyl)-1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 95761549
2-(2-methylprop-2-enyl)-1-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 95761550
1-butyl-3-prop-2-enyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 96014335
1-butyl-3-prop-2-enyl-2-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 96014336
2-Ethyl-1-methyl-1-pent-4-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 109495910
2-Ethyl-1-methyl-1-pent-4-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 109495911

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
The IUPAC name of 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine (CID 110916960) is 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine.
What is the SMILES notation for 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
The canonical SMILES for 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine is C=CC/N=C(\N)NC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
The InChIKey is ZVFSCJBVAUFHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-2-4-15-9(14)16-8-3-5-17(6-8)7-10(11,12)13/h2,8H,1,3-7H2,(H3,14,15,16).
What are the key properties of 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine has a molecular weight of 250.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine is sourced from PubChem (CID 110916960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).