2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

C12H22F3N3 — CID 62362739

IUPAC2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)N(CC(F)(F)F)/C(N)=N/C1CCCCC1
InChIInChI=1S/C12H22F3N3/c1-9(2)18(8-12(13,14)15)11(16)17-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,16,17)
InChIKeyRQTXPUXPGLVQKK-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.91
Rot. Bonds3

About 2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62362739) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62362739
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)N(CC(F)(F)F)/C(N)=N/C1CCCCC1
InChIInChI=1S/C12H22F3N3/c1-9(2)18(8-12(13,14)15)11(16)17-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,16,17)
InChIKeyRQTXPUXPGLVQKK-UHFFFAOYSA-N
XLogP2.91
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
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 2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (CID 62362739) is 2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is CC(C)N(CC(F)(F)F)/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is RQTXPUXPGLVQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c1-9(2)18(8-12(13,14)15)11(16)17-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,16,17).
What are the key properties of 2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 265.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62362739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).