1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine

C7H16FN3 — CID 170057621

IUPAC1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine
SMILESCCN(C)/C(=N\C)NCCF
InChIInChI=1S/C7H16FN3/c1-4-11(3)7(9-2)10-6-5-8/h4-6H2,1-3H3,(H,9,10)
InChIKeyHBCKLDLDOMEFEQ-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.48
Rot. Bonds3

About 1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine

1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine (PubChem CID 170057621) has the molecular formula C7H16FN3 and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine
PubChem CID170057621
Molecular FormulaC7H16FN3
Molecular Weight161.22 g/mol
Exact Mass161.13
IUPAC Name1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine
SMILESCCN(C)/C(=N\C)NCCF
InChIInChI=1S/C7H16FN3/c1-4-11(3)7(9-2)10-6-5-8/h4-6H2,1-3H3,(H,9,10)
InChIKeyHBCKLDLDOMEFEQ-UHFFFAOYSA-N
XLogP0.48
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
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 1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine?
The IUPAC name of 1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine (CID 170057621) is 1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine?
The canonical SMILES for 1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine is CCN(C)/C(=N\C)NCCF.
What is the InChIKey of 1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine?
The InChIKey is HBCKLDLDOMEFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN3/c1-4-11(3)7(9-2)10-6-5-8/h4-6H2,1-3H3,(H,9,10).
What are the key properties of 1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine?
1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine has a molecular weight of 161.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-fluoroethyl)-1,2-dimethylguanidine is sourced from PubChem (CID 170057621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).