2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine

C10H18F3N3 — CID 62364122

IUPAC2-tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)(C)N=C(N)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3N3/c1-9(2,3)15-8(14)16(7-4-5-7)6-10(11,12)13/h7H,4-6H2,1-3H3,(H2,14,15)
InChIKeyZAPHSCBILIZTPO-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.90
Rot. Bonds4

About 2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine

2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62364122) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62364122
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name2-tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)(C)N=C(N)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3N3/c1-9(2,3)15-8(14)16(7-4-5-7)6-10(11,12)13/h7H,4-6H2,1-3H3,(H2,14,15)
InChIKeyZAPHSCBILIZTPO-UHFFFAOYSA-N
XLogP1.90
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity274

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-Cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358421
2-(2-Methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361475
1-Ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362806
2-Cyclopropyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362807
2-Tert-butyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362808
2-Cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363433
2-Tert-butyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363434
1-Cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363901
1-Cyclopropyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364119
1-Cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364120
1,2-Dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364121
1-Cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 62364341

Frequently Asked Questions

What is the IUPAC name of 2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62364122) is 2-tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine is CC(C)(C)N=C(N)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is ZAPHSCBILIZTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3/c1-9(2,3)15-8(14)16(7-4-5-7)6-10(11,12)13/h7H,4-6H2,1-3H3,(H2,14,15).
What are the key properties of 2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 237.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62364122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).