2-(2-fluoroethyl)-1-pentan-2-ylguanidine

C8H18FN3 — CID 146245919

IUPAC2-(2-fluoroethyl)-1-pentan-2-ylguanidine
SMILESCCCC(C)N/C(N)=N/CCF
InChIInChI=1S/C8H18FN3/c1-3-4-7(2)12-8(10)11-6-5-9/h7H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyFMJDJHVQMQESHI-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds5

About 2-(2-fluoroethyl)-1-pentan-2-ylguanidine

2-(2-fluoroethyl)-1-pentan-2-ylguanidine (PubChem CID 146245919) has the molecular formula C8H18FN3 and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-1-pentan-2-ylguanidine.

Molecular Properties

Compound Name2-(2-fluoroethyl)-1-pentan-2-ylguanidine
PubChem CID146245919
Molecular FormulaC8H18FN3
Molecular Weight175.25 g/mol
Exact Mass175.15
IUPAC Name2-(2-fluoroethyl)-1-pentan-2-ylguanidine
SMILESCCCC(C)N/C(N)=N/CCF
InChIInChI=1S/C8H18FN3/c1-3-4-7(2)12-8(10)11-6-5-9/h7H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyFMJDJHVQMQESHI-UHFFFAOYSA-N
XLogP1.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-1-pentan-2-ylguanidine?
The IUPAC name of 2-(2-fluoroethyl)-1-pentan-2-ylguanidine (CID 146245919) is 2-(2-fluoroethyl)-1-pentan-2-ylguanidine.
What is the SMILES notation for 2-(2-fluoroethyl)-1-pentan-2-ylguanidine?
The canonical SMILES for 2-(2-fluoroethyl)-1-pentan-2-ylguanidine is CCCC(C)N/C(N)=N/CCF.
What is the InChIKey of 2-(2-fluoroethyl)-1-pentan-2-ylguanidine?
The InChIKey is FMJDJHVQMQESHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3/c1-3-4-7(2)12-8(10)11-6-5-9/h7H,3-6H2,1-2H3,(H3,10,11,12).
What are the key properties of 2-(2-fluoroethyl)-1-pentan-2-ylguanidine?
2-(2-fluoroethyl)-1-pentan-2-ylguanidine has a molecular weight of 175.25 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-1-pentan-2-ylguanidine is sourced from PubChem (CID 146245919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).