1-(2,2-difluoroethyl)-2,3-dimethylguanidine

C5H11F2N3 — CID 131057054

IUPAC1-(2,2-difluoroethyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC(F)F
InChIInChI=1S/C5H11F2N3/c1-8-5(9-2)10-3-4(6)7/h4H,3H2,1-2H3,(H2,8,9,10)
InChIKeyOPVFFAZFQKHRAY-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.05
Rot. Bonds2

About 1-(2,2-difluoroethyl)-2,3-dimethylguanidine

1-(2,2-difluoroethyl)-2,3-dimethylguanidine (PubChem CID 131057054) has the molecular formula C5H11F2N3 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2,3-dimethylguanidine
PubChem CID131057054
Molecular FormulaC5H11F2N3
Molecular Weight151.16 g/mol
Exact Mass151.09
IUPAC Name1-(2,2-difluoroethyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC(F)F
InChIInChI=1S/C5H11F2N3/c1-8-5(9-2)10-3-4(6)7/h4H,3H2,1-2H3,(H2,8,9,10)
InChIKeyOPVFFAZFQKHRAY-UHFFFAOYSA-N
XLogP0.05
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.05
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 1-(2,2-difluoroethyl)-2,3-dimethylguanidine?
The IUPAC name of 1-(2,2-difluoroethyl)-2,3-dimethylguanidine (CID 131057054) is 1-(2,2-difluoroethyl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2,3-dimethylguanidine is C/N=C(\NC)NCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2,3-dimethylguanidine?
The InChIKey is OPVFFAZFQKHRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N3/c1-8-5(9-2)10-3-4(6)7/h4H,3H2,1-2H3,(H2,8,9,10).
What are the key properties of 1-(2,2-difluoroethyl)-2,3-dimethylguanidine?
1-(2,2-difluoroethyl)-2,3-dimethylguanidine has a molecular weight of 151.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2,3-dimethylguanidine is sourced from PubChem (CID 131057054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).