1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide

C10H19F3IN3 — CID 110932029

IUPAC1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C10H18F3N3.HI/c11-10(12,13)6-7-15-9(14)16-8-4-2-1-3-5-8;/h8H,1-7H2,(H3,14,15,16);1H
InChIKeyJBILOLCIPCIHLP-UHFFFAOYSA-N
MW365.18 g/mol
LogP2.79
Rot. Bonds3

About 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide

1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide (PubChem CID 110932029) has the molecular formula C10H19F3IN3 and a molecular weight of 365.18 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
PubChem CID110932029
Molecular FormulaC10H19F3IN3
Molecular Weight365.18 g/mol
Exact Mass365.06
IUPAC Name1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C10H18F3N3.HI/c11-10(12,13)6-7-15-9(14)16-8-4-2-1-3-5-8;/h8H,1-7H2,(H3,14,15,16);1H
InChIKeyJBILOLCIPCIHLP-UHFFFAOYSA-N
XLogP2.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 52.79
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide (CID 110932029) is 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide is I.N/C(=N\CCC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The InChIKey is JBILOLCIPCIHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3.HI/c11-10(12,13)6-7-15-9(14)16-8-4-2-1-3-5-8;/h8H,1-7H2,(H3,14,15,16);1H.
What are the key properties of 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide has a molecular weight of 365.18 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide is sourced from PubChem (CID 110932029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).