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

C4H10F2N4 — CID 104882385

IUPAC1-amino-3-(2,2-difluoroethyl)-2-methylguanidine
SMILESC/N=C(\NN)NCC(F)F
InChIInChI=1S/C4H10F2N4/c1-8-4(10-7)9-2-3(5)6/h3H,2,7H2,1H3,(H2,8,9,10)
InChIKeyNVDMWSDFQAPSLB-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.71
Rot. Bonds2

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

1-amino-3-(2,2-difluoroethyl)-2-methylguanidine (PubChem CID 104882385) has the molecular formula C4H10F2N4 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-amino-3-(2,2-difluoroethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(2,2-difluoroethyl)-2-methylguanidine
PubChem CID104882385
Molecular FormulaC4H10F2N4
Molecular Weight152.15 g/mol
Exact Mass152.09
IUPAC Name1-amino-3-(2,2-difluoroethyl)-2-methylguanidine
SMILESC/N=C(\NN)NCC(F)F
InChIInChI=1S/C4H10F2N4/c1-8-4(10-7)9-2-3(5)6/h3H,2,7H2,1H3,(H2,8,9,10)
InChIKeyNVDMWSDFQAPSLB-UHFFFAOYSA-N
XLogP-0.71
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.71
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-3-(2,2-difluoroethyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(2,2-difluoroethyl)-2-methylguanidine (CID 104882385) is 1-amino-3-(2,2-difluoroethyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(2,2-difluoroethyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(2,2-difluoroethyl)-2-methylguanidine is C/N=C(\NN)NCC(F)F.
What is the InChIKey of 1-amino-3-(2,2-difluoroethyl)-2-methylguanidine?
The InChIKey is NVDMWSDFQAPSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2N4/c1-8-4(10-7)9-2-3(5)6/h3H,2,7H2,1H3,(H2,8,9,10).
What are the key properties of 1-amino-3-(2,2-difluoroethyl)-2-methylguanidine?
1-amino-3-(2,2-difluoroethyl)-2-methylguanidine has a molecular weight of 152.15 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,2-difluoroethyl)-2-methylguanidine is sourced from PubChem (CID 104882385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).