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

C8H16F4N4O — CID 106296460

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine
SMILESCOCC(C)N/C(=N/CC(F)(F)C(F)F)NN
InChIInChI=1S/C8H16F4N4O/c1-5(3-17-2)15-7(16-13)14-4-8(11,12)6(9)10/h5-6H,3-4,13H2,1-2H3,(H2,14,15,16)
InChIKeyTVFCKCRKUYAFKA-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.33
Rot. Bonds6

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

1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine (PubChem CID 106296460) has the molecular formula C8H16F4N4O and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine
PubChem CID106296460
Molecular FormulaC8H16F4N4O
Molecular Weight260.24 g/mol
Exact Mass260.13
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine
SMILESCOCC(C)N/C(=N/CC(F)(F)C(F)F)NN
InChIInChI=1S/C8H16F4N4O/c1-5(3-17-2)15-7(16-13)14-4-8(11,12)6(9)10/h5-6H,3-4,13H2,1-2H3,(H2,14,15,16)
InChIKeyTVFCKCRKUYAFKA-UHFFFAOYSA-N
XLogP0.33
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.33
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine (CID 106296460) is 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine is COCC(C)N/C(=N/CC(F)(F)C(F)F)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The InChIKey is TVFCKCRKUYAFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F4N4O/c1-5(3-17-2)15-7(16-13)14-4-8(11,12)6(9)10/h5-6H,3-4,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine has a molecular weight of 260.24 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine is sourced from PubChem (CID 106296460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).