1-cyclopentyl-2-(2,2-difluoroethyl)guanidine

C8H15F2N3 — CID 79061630

IUPAC1-cyclopentyl-2-(2,2-difluoroethyl)guanidine
SMILESN/C(=N\CC(F)F)NC1CCCC1
InChIInChI=1S/C8H15F2N3/c9-7(10)5-12-8(11)13-6-3-1-2-4-6/h6-7H,1-5H2,(H3,11,12,13)
InChIKeyZDEVZBZRDKCYGD-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.10
Rot. Bonds3

About 1-cyclopentyl-2-(2,2-difluoroethyl)guanidine

1-cyclopentyl-2-(2,2-difluoroethyl)guanidine (PubChem CID 79061630) has the molecular formula C8H15F2N3 and a molecular weight of 191.22 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,2-difluoroethyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,2-difluoroethyl)guanidine
PubChem CID79061630
Molecular FormulaC8H15F2N3
Molecular Weight191.22 g/mol
Exact Mass191.12
IUPAC Name1-cyclopentyl-2-(2,2-difluoroethyl)guanidine
SMILESN/C(=N\CC(F)F)NC1CCCC1
InChIInChI=1S/C8H15F2N3/c9-7(10)5-12-8(11)13-6-3-1-2-4-6/h6-7H,1-5H2,(H3,11,12,13)
InChIKeyZDEVZBZRDKCYGD-UHFFFAOYSA-N
XLogP1.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
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 1-cyclopentyl-2-(2,2-difluoroethyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(2,2-difluoroethyl)guanidine (CID 79061630) is 1-cyclopentyl-2-(2,2-difluoroethyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(2,2-difluoroethyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(2,2-difluoroethyl)guanidine is N/C(=N\CC(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,2-difluoroethyl)guanidine?
The InChIKey is ZDEVZBZRDKCYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3/c9-7(10)5-12-8(11)13-6-3-1-2-4-6/h6-7H,1-5H2,(H3,11,12,13).
What are the key properties of 1-cyclopentyl-2-(2,2-difluoroethyl)guanidine?
1-cyclopentyl-2-(2,2-difluoroethyl)guanidine has a molecular weight of 191.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,2-difluoroethyl)guanidine is sourced from PubChem (CID 79061630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).