2-ethyl-1-(1-fluoroethyl)guanidine

C5H12FN3 — CID 146490667

IUPAC2-ethyl-1-(1-fluoroethyl)guanidine
SMILESCC/N=C(\N)NC(C)F
InChIInChI=1S/C5H12FN3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3,(H3,7,8,9)
InChIKeyJOSBGKJWQGTFQF-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.23
Rot. Bonds2

About 2-ethyl-1-(1-fluoroethyl)guanidine

2-ethyl-1-(1-fluoroethyl)guanidine (PubChem CID 146490667) has the molecular formula C5H12FN3 and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-ethyl-1-(1-fluoroethyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(1-fluoroethyl)guanidine
PubChem CID146490667
Molecular FormulaC5H12FN3
Molecular Weight133.17 g/mol
Exact Mass133.10
IUPAC Name2-ethyl-1-(1-fluoroethyl)guanidine
SMILESCC/N=C(\N)NC(C)F
InChIInChI=1S/C5H12FN3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3,(H3,7,8,9)
InChIKeyJOSBGKJWQGTFQF-UHFFFAOYSA-N
XLogP0.23
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.23
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': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-fluoroethyl)guanidine?
The IUPAC name of 2-ethyl-1-(1-fluoroethyl)guanidine (CID 146490667) is 2-ethyl-1-(1-fluoroethyl)guanidine.
What is the SMILES notation for 2-ethyl-1-(1-fluoroethyl)guanidine?
The canonical SMILES for 2-ethyl-1-(1-fluoroethyl)guanidine is CC/N=C(\N)NC(C)F.
What is the InChIKey of 2-ethyl-1-(1-fluoroethyl)guanidine?
The InChIKey is JOSBGKJWQGTFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3,(H3,7,8,9).
What are the key properties of 2-ethyl-1-(1-fluoroethyl)guanidine?
2-ethyl-1-(1-fluoroethyl)guanidine has a molecular weight of 133.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-fluoroethyl)guanidine is sourced from PubChem (CID 146490667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).