1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine

C7H14FN3 — CID 131224434

IUPAC1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCF
InChIInChI=1S/C7H14FN3/c1-6(2)5-11-7(9)10-4-3-8/h1,3-5H2,2H3,(H3,9,10,11)
InChIKeyQWPRFYZPQJHPGA-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.44
Rot. Bonds4

About 1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine

1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine (PubChem CID 131224434) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine
PubChem CID131224434
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC Name1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCF
InChIInChI=1S/C7H14FN3/c1-6(2)5-11-7(9)10-4-3-8/h1,3-5H2,2H3,(H3,9,10,11)
InChIKeyQWPRFYZPQJHPGA-UHFFFAOYSA-N
XLogP0.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.44
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

Pterogynidine
CID 10035557
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-(2-Fluoroethyl)-1-prop-2-enylguanidine
CID 137216592
2-Methyl-1-prop-2-enylguanidine
CID 18952267
2-Methyl-1-(3-methylbut-2-enyl)guanidine
CID 87780058
1-Ethyl-2-prop-2-enylguanidine
CID 62361769
1-Ethyl-2-(3-methylbut-2-enyl)guanidine
CID 103517451
2-Methyl-1-(2-methylprop-2-enyl)guanidine
CID 115612294
1-Ethyl-2-(2-methylprop-2-enyl)guanidine
CID 115612295
2-(2-Methylprop-2-enyl)-1-propylguanidine
CID 115612298
2-(2-Methylprop-2-enyl)-1-propan-2-ylguanidine
CID 115626498

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine (CID 131224434) is 1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is QWPRFYZPQJHPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3/c1-6(2)5-11-7(9)10-4-3-8/h1,3-5H2,2H3,(H3,9,10,11).
What are the key properties of 1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine?
1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 159.21 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 131224434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).