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

C10H18F3N3 — CID 63227578

IUPAC1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine
SMILESN/C(=N\CCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C10H18F3N3/c11-10(12,13)6-7-15-9(14)16-8-4-2-1-3-5-8/h8H,1-7H2,(H3,14,15,16)
InChIKeyUVWLJIAGWMSXOE-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.18
Rot. Bonds3

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

1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine (PubChem CID 63227578) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine
PubChem CID63227578
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine
SMILESN/C(=N\CCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C10H18F3N3/c11-10(12,13)6-7-15-9(14)16-8-4-2-1-3-5-8/h8H,1-7H2,(H3,14,15,16)
InChIKeyUVWLJIAGWMSXOE-UHFFFAOYSA-N
XLogP2.18
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.18
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-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine (CID 63227578) is 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine is N/C(=N\CCC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is UVWLJIAGWMSXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3/c11-10(12,13)6-7-15-9(14)16-8-4-2-1-3-5-8/h8H,1-7H2,(H3,14,15,16).
What are the key properties of 1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine?
1-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 237.27 g/mol, XLogP of 2.18, 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 is sourced from PubChem (CID 63227578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).