1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine

C7H16F2N4O — CID 104887783

IUPAC1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(=N/CC(F)F)NN
InChIInChI=1S/C7H16F2N4O/c1-5(4-14-2)12-7(13-10)11-3-6(8)9/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13)
InChIKeyBBMVFMMYZNQPHE-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.30
Rot. Bonds5

About 1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine

1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine (PubChem CID 104887783) has the molecular formula C7H16F2N4O and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine
PubChem CID104887783
Molecular FormulaC7H16F2N4O
Molecular Weight210.23 g/mol
Exact Mass210.13
IUPAC Name1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(=N/CC(F)F)NN
InChIInChI=1S/C7H16F2N4O/c1-5(4-14-2)12-7(13-10)11-3-6(8)9/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13)
InChIKeyBBMVFMMYZNQPHE-UHFFFAOYSA-N
XLogP-0.30
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine (CID 104887783) is 1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine is COCC(C)N/C(=N/CC(F)F)NN.
What is the InChIKey of 1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine?
The InChIKey is BBMVFMMYZNQPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N4O/c1-5(4-14-2)12-7(13-10)11-3-6(8)9/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine?
1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine has a molecular weight of 210.23 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 104887783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).