1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine

C8H18F2N4O — CID 104887785

IUPAC1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine
SMILESCCOCCCN/C(=N\CC(F)F)NN
InChIInChI=1S/C8H18F2N4O/c1-2-15-5-3-4-12-8(14-11)13-6-7(9)10/h7H,2-6,11H2,1H3,(H2,12,13,14)
InChIKeyHWEPSWXQPYUNBR-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.09
Rot. Bonds7

About 1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine

1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine (PubChem CID 104887785) has the molecular formula C8H18F2N4O and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine
PubChem CID104887785
Molecular FormulaC8H18F2N4O
Molecular Weight224.25 g/mol
Exact Mass224.14
IUPAC Name1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine
SMILESCCOCCCN/C(=N\CC(F)F)NN
InChIInChI=1S/C8H18F2N4O/c1-2-15-5-3-4-12-8(14-11)13-6-7(9)10/h7H,2-6,11H2,1H3,(H2,12,13,14)
InChIKeyHWEPSWXQPYUNBR-UHFFFAOYSA-N
XLogP0.09
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

1-Amino-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104882249
1-Amino-3-(3-ethoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883041
1-Amino-3-(3-methoxypropyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883044
3-Amino-2-(3-ethoxypropyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884157
3-Amino-2-(3-methoxypropyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884160
3-Amino-2-(3-ethoxypropyl)-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884433
3-Amino-1-ethyl-2-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884436
3-Amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884476
3-Amino-2-(3-methoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884480
1-Amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine
CID 104885799
1-Amino-2-(3-ethoxypropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 104885801
1-Amino-2-(3-methoxypropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 104885804

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine?
The IUPAC name of 1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine (CID 104887785) is 1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine?
The canonical SMILES for 1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine is CCOCCCN/C(=N\CC(F)F)NN.
What is the InChIKey of 1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine?
The InChIKey is HWEPSWXQPYUNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N4O/c1-2-15-5-3-4-12-8(14-11)13-6-7(9)10/h7H,2-6,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine?
1-amino-2-(2,2-difluoroethyl)-3-(3-ethoxypropyl)guanidine has a molecular weight of 224.25 g/mol, XLogP of 0.09, 7 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-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 104887785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).