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

C9H17F2N3 — CID 79727152

IUPAC1-cyclohexyl-2-(2,2-difluoroethyl)guanidine
SMILESN/C(=N\CC(F)F)NC1CCCCC1
InChIInChI=1S/C9H17F2N3/c10-8(11)6-13-9(12)14-7-4-2-1-3-5-7/h7-8H,1-6H2,(H3,12,13,14)
InChIKeyXNCRSAXBUBFWRN-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.49
Rot. Bonds3

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

1-cyclohexyl-2-(2,2-difluoroethyl)guanidine (PubChem CID 79727152) has the molecular formula C9H17F2N3 and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,2-difluoroethyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,2-difluoroethyl)guanidine
PubChem CID79727152
Molecular FormulaC9H17F2N3
Molecular Weight205.25 g/mol
Exact Mass205.14
IUPAC Name1-cyclohexyl-2-(2,2-difluoroethyl)guanidine
SMILESN/C(=N\CC(F)F)NC1CCCCC1
InChIInChI=1S/C9H17F2N3/c10-8(11)6-13-9(12)14-7-4-2-1-3-5-7/h7-8H,1-6H2,(H3,12,13,14)
InChIKeyXNCRSAXBUBFWRN-UHFFFAOYSA-N
XLogP1.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.49
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-cyclohexyl-2-(2,2-difluoroethyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2,2-difluoroethyl)guanidine (CID 79727152) is 1-cyclohexyl-2-(2,2-difluoroethyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2,2-difluoroethyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2,2-difluoroethyl)guanidine is N/C(=N\CC(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2,2-difluoroethyl)guanidine?
The InChIKey is XNCRSAXBUBFWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3/c10-8(11)6-13-9(12)14-7-4-2-1-3-5-7/h7-8H,1-6H2,(H3,12,13,14).
What are the key properties of 1-cyclohexyl-2-(2,2-difluoroethyl)guanidine?
1-cyclohexyl-2-(2,2-difluoroethyl)guanidine has a molecular weight of 205.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,2-difluoroethyl)guanidine is sourced from PubChem (CID 79727152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).