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

C4H9F2N3 — CID 79059355

IUPAC1-(2,2-difluoroethyl)-2-methylguanidine
SMILESC/N=C(\N)NCC(F)F
InChIInChI=1S/C4H9F2N3/c1-8-4(7)9-2-3(5)6/h3H,2H2,1H3,(H3,7,8,9)
InChIKeyDRVGWROKDPVBLL-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.21
Rot. Bonds2

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

1-(2,2-difluoroethyl)-2-methylguanidine (PubChem CID 79059355) has the molecular formula C4H9F2N3 and a molecular weight of 137.13 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-methylguanidine
PubChem CID79059355
Molecular FormulaC4H9F2N3
Molecular Weight137.13 g/mol
Exact Mass137.08
IUPAC Name1-(2,2-difluoroethyl)-2-methylguanidine
SMILESC/N=C(\N)NCC(F)F
InChIInChI=1S/C4H9F2N3/c1-8-4(7)9-2-3(5)6/h3H,2H2,1H3,(H3,7,8,9)
InChIKeyDRVGWROKDPVBLL-UHFFFAOYSA-N
XLogP-0.21
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.21
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-methylguanidine?
The IUPAC name of 1-(2,2-difluoroethyl)-2-methylguanidine (CID 79059355) is 1-(2,2-difluoroethyl)-2-methylguanidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-methylguanidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-methylguanidine is C/N=C(\N)NCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-methylguanidine?
The InChIKey is DRVGWROKDPVBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N3/c1-8-4(7)9-2-3(5)6/h3H,2H2,1H3,(H3,7,8,9).
What are the key properties of 1-(2,2-difluoroethyl)-2-methylguanidine?
1-(2,2-difluoroethyl)-2-methylguanidine has a molecular weight of 137.13 g/mol, XLogP of -0.21, 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-methylguanidine is sourced from PubChem (CID 79059355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).