1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine

C10H19F2N3O — CID 103090729

IUPAC1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
SMILESN/C(=N\CCOCC(F)F)NC1CCCC1
InChIInChI=1S/C10H19F2N3O/c11-9(12)7-16-6-5-14-10(13)15-8-3-1-2-4-8/h8-9H,1-7H2,(H3,13,14,15)
InChIKeyMBJRRPYZTVPWDH-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.12
Rot. Bonds6

About 1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine

1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine (PubChem CID 103090729) has the molecular formula C10H19F2N3O and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
PubChem CID103090729
Molecular FormulaC10H19F2N3O
Molecular Weight235.28 g/mol
Exact Mass235.15
IUPAC Name1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
SMILESN/C(=N\CCOCC(F)F)NC1CCCC1
InChIInChI=1S/C10H19F2N3O/c11-9(12)7-16-6-5-14-10(13)15-8-3-1-2-4-8/h8-9H,1-7H2,(H3,13,14,15)
InChIKeyMBJRRPYZTVPWDH-UHFFFAOYSA-N
XLogP1.12
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.12
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-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine (CID 103090729) is 1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine is N/C(=N\CCOCC(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
The InChIKey is MBJRRPYZTVPWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O/c11-9(12)7-16-6-5-14-10(13)15-8-3-1-2-4-8/h8-9H,1-7H2,(H3,13,14,15).
What are the key properties of 1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine has a molecular weight of 235.28 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine is sourced from PubChem (CID 103090729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).