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

C9H16F3N3O — CID 110914986

IUPAC1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
SMILESN/C(=N\CCCOCC(F)(F)F)NC1CC1
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)6-16-5-1-4-14-8(13)15-7-2-3-7/h7H,1-6H2,(H3,13,14,15)
InChIKeyMTUDKQDGQLASGP-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.02
Rot. Bonds6

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

1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine (PubChem CID 110914986) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
PubChem CID110914986
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
SMILESN/C(=N\CCCOCC(F)(F)F)NC1CC1
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)6-16-5-1-4-14-8(13)15-7-2-3-7/h7H,1-6H2,(H3,13,14,15)
InChIKeyMTUDKQDGQLASGP-UHFFFAOYSA-N
XLogP1.02
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.02
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'}

Analyze 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine (CID 110914986) is 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine is N/C(=N\CCCOCC(F)(F)F)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine?
The InChIKey is MTUDKQDGQLASGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c10-9(11,12)6-16-5-1-4-14-8(13)15-7-2-3-7/h7H,1-6H2,(H3,13,14,15).
What are the key properties of 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine?
1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine has a molecular weight of 239.24 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine is sourced from PubChem (CID 110914986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).