2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine

C10H18F3N3 — CID 62361397

IUPAC2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCN(CC(F)(F)F)/C(N)=N/C1CCCCC1
InChIInChI=1S/C10H18F3N3/c1-16(7-10(11,12)13)9(14)15-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,14,15)
InChIKeyUXMAPMOLKAILDE-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.13
Rot. Bonds2

About 2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine

2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62361397) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62361397
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCN(CC(F)(F)F)/C(N)=N/C1CCCCC1
InChIInChI=1S/C10H18F3N3/c1-16(7-10(11,12)13)9(14)15-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,14,15)
InChIKeyUXMAPMOLKAILDE-UHFFFAOYSA-N
XLogP2.13
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.13
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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Related Compounds

N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
CID 154494480
N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
CID 154494483
2-Cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 55064154
2-Cyclopentyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 55064248
2-Cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361396
2-Cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361427
2-Cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362298
2-Cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362521
2-Cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362522
2-Cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362739
1-Cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 62364071
1-Cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine
CID 63227578

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62361397) is 2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine is CN(CC(F)(F)F)/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is UXMAPMOLKAILDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3/c1-16(7-10(11,12)13)9(14)15-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,14,15).
What are the key properties of 2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 237.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62361397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).