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

C11H18F3N3 — CID 62362297

IUPAC2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\C1CCCC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H18F3N3/c12-11(13,14)7-17(9-5-6-9)10(15)16-8-3-1-2-4-8/h8-9H,1-7H2,(H2,15,16)
InChIKeyGCKXNRAFPNITCQ-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.27
Rot. Bonds3

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

2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62362297) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62362297
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\C1CCCC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H18F3N3/c12-11(13,14)7-17(9-5-6-9)10(15)16-8-3-1-2-4-8/h8-9H,1-7H2,(H2,15,16)
InChIKeyGCKXNRAFPNITCQ-UHFFFAOYSA-N
XLogP2.27
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.27
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-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62362297) is 2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine is N/C(=N\C1CCCC1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is GCKXNRAFPNITCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c12-11(13,14)7-17(9-5-6-9)10(15)16-8-3-1-2-4-8/h8-9H,1-7H2,(H2,15,16).
What are the key properties of 2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 249.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62362297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).