2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine

C11H20F3N3 — CID 62362521

IUPAC2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCCN(CC(F)(F)F)/C(N)=N/C1CCCC1
InChIInChI=1S/C11H20F3N3/c1-2-7-17(8-11(12,13)14)10(15)16-9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,15,16)
InChIKeyJQGVWYWRCMTIFF-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.52
Rot. Bonds4

About 2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine

2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62362521) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62362521
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCCN(CC(F)(F)F)/C(N)=N/C1CCCC1
InChIInChI=1S/C11H20F3N3/c1-2-7-17(8-11(12,13)14)10(15)16-9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,15,16)
InChIKeyJQGVWYWRCMTIFF-UHFFFAOYSA-N
XLogP2.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62362521) is 2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine is CCCN(CC(F)(F)F)/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is JQGVWYWRCMTIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-2-7-17(8-11(12,13)14)10(15)16-9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,15,16).
What are the key properties of 2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 251.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62362521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).