1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine

C10H18F4N4 — CID 106296451

IUPAC1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
SMILESNN/C(=N\CC(F)(F)C(F)F)NC1CCCCC1
InChIInChI=1S/C10H18F4N4/c11-8(12)10(13,14)6-16-9(18-15)17-7-4-2-1-3-5-7/h7-8H,1-6,15H2,(H2,16,17,18)
InChIKeyIGNLUCSPIJJRLZ-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.63
Rot. Bonds4

About 1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine

1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine (PubChem CID 106296451) has the molecular formula C10H18F4N4 and a molecular weight of 270.27 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
PubChem CID106296451
Molecular FormulaC10H18F4N4
Molecular Weight270.27 g/mol
Exact Mass270.15
IUPAC Name1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
SMILESNN/C(=N\CC(F)(F)C(F)F)NC1CCCCC1
InChIInChI=1S/C10H18F4N4/c11-8(12)10(13,14)6-16-9(18-15)17-7-4-2-1-3-5-7/h7-8H,1-6,15H2,(H2,16,17,18)
InChIKeyIGNLUCSPIJJRLZ-UHFFFAOYSA-N
XLogP1.63
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine (CID 106296451) is 1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine is NN/C(=N\CC(F)(F)C(F)F)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The InChIKey is IGNLUCSPIJJRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4N4/c11-8(12)10(13,14)6-16-9(18-15)17-7-4-2-1-3-5-7/h7-8H,1-6,15H2,(H2,16,17,18).
What are the key properties of 1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine has a molecular weight of 270.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine is sourced from PubChem (CID 106296451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).