1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine

C11H20F3N3O — CID 110988038

IUPAC1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
SMILESCCN/C(=N\CCCOCC(F)(F)F)NC1CC1
InChIInChI=1S/C11H20F3N3O/c1-2-15-10(17-9-4-5-9)16-6-3-7-18-8-11(12,13)14/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyLXIQWEKWDDWZHD-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.67
Rot. Bonds7

About 1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine

1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine (PubChem CID 110988038) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
PubChem CID110988038
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
SMILESCCN/C(=N\CCCOCC(F)(F)F)NC1CC1
InChIInChI=1S/C11H20F3N3O/c1-2-15-10(17-9-4-5-9)16-6-3-7-18-8-11(12,13)14/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyLXIQWEKWDDWZHD-UHFFFAOYSA-N
XLogP1.67
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine (CID 110988038) is 1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine is CCN/C(=N\CCCOCC(F)(F)F)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine?
The InChIKey is LXIQWEKWDDWZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-2-15-10(17-9-4-5-9)16-6-3-7-18-8-11(12,13)14/h9H,2-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine?
1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine has a molecular weight of 267.29 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine is sourced from PubChem (CID 110988038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).