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

C11H21F2N3O — CID 103090732

IUPAC1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
SMILESN/C(=N\CCOCC(F)F)NC1CCCCC1
InChIInChI=1S/C11H21F2N3O/c12-10(13)8-17-7-6-15-11(14)16-9-4-2-1-3-5-9/h9-10H,1-8H2,(H3,14,15,16)
InChIKeyQUNGUEGHSNZJGN-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.51
Rot. Bonds6

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

1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine (PubChem CID 103090732) has the molecular formula C11H21F2N3O and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
PubChem CID103090732
Molecular FormulaC11H21F2N3O
Molecular Weight249.30 g/mol
Exact Mass249.17
IUPAC Name1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
SMILESN/C(=N\CCOCC(F)F)NC1CCCCC1
InChIInChI=1S/C11H21F2N3O/c12-10(13)8-17-7-6-15-11(14)16-9-4-2-1-3-5-9/h9-10H,1-8H2,(H3,14,15,16)
InChIKeyQUNGUEGHSNZJGN-UHFFFAOYSA-N
XLogP1.51
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.51
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-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine (CID 103090732) is 1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine is N/C(=N\CCOCC(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
The InChIKey is QUNGUEGHSNZJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3O/c12-10(13)8-17-7-6-15-11(14)16-9-4-2-1-3-5-9/h9-10H,1-8H2,(H3,14,15,16).
What are the key properties of 1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine has a molecular weight of 249.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine is sourced from PubChem (CID 103090732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).