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

C8H15F2N3O — CID 103090725

IUPAC1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
SMILESN/C(=N\CCOCC(F)F)NC1CC1
InChIInChI=1S/C8H15F2N3O/c9-7(10)5-14-4-3-12-8(11)13-6-1-2-6/h6-7H,1-5H2,(H3,11,12,13)
InChIKeyCNNQCPWTMJBTPF-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.33
Rot. Bonds6

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

1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine (PubChem CID 103090725) has the molecular formula C8H15F2N3O and a molecular weight of 207.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
PubChem CID103090725
Molecular FormulaC8H15F2N3O
Molecular Weight207.22 g/mol
Exact Mass207.12
IUPAC Name1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
SMILESN/C(=N\CCOCC(F)F)NC1CC1
InChIInChI=1S/C8H15F2N3O/c9-7(10)5-14-4-3-12-8(11)13-6-1-2-6/h6-7H,1-5H2,(H3,11,12,13)
InChIKeyCNNQCPWTMJBTPF-UHFFFAOYSA-N
XLogP0.33
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.33
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-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine (CID 103090725) is 1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine is N/C(=N\CCOCC(F)F)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
The InChIKey is CNNQCPWTMJBTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O/c9-7(10)5-14-4-3-12-8(11)13-6-1-2-6/h6-7H,1-5H2,(H3,11,12,13).
What are the key properties of 1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine has a molecular weight of 207.22 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine is sourced from PubChem (CID 103090725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).