1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine

C5H12F2N4 — CID 104887786

IUPAC1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC(F)F)NN
InChIInChI=1S/C5H12F2N4/c1-2-9-5(11-8)10-3-4(6)7/h4H,2-3,8H2,1H3,(H2,9,10,11)
InChIKeyJUORRQKLFCQXDZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.32
Rot. Bonds3

About 1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine

1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine (PubChem CID 104887786) has the molecular formula C5H12F2N4 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine.

Molecular Properties

Compound Name1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine
PubChem CID104887786
Molecular FormulaC5H12F2N4
Molecular Weight166.18 g/mol
Exact Mass166.10
IUPAC Name1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC(F)F)NN
InChIInChI=1S/C5H12F2N4/c1-2-9-5(11-8)10-3-4(6)7/h4H,2-3,8H2,1H3,(H2,9,10,11)
InChIKeyJUORRQKLFCQXDZ-UHFFFAOYSA-N
XLogP-0.32
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine?
The IUPAC name of 1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine (CID 104887786) is 1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine.
What is the SMILES notation for 1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine?
The canonical SMILES for 1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine is CCN/C(=N\CC(F)F)NN.
What is the InChIKey of 1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine?
The InChIKey is JUORRQKLFCQXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N4/c1-2-9-5(11-8)10-3-4(6)7/h4H,2-3,8H2,1H3,(H2,9,10,11).
What are the key properties of 1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine?
1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine has a molecular weight of 166.18 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,2-difluoroethyl)-3-ethylguanidine is sourced from PubChem (CID 104887786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).