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

C7H12F3N3 — CID 62363433

IUPAC2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCN(CC(F)(F)F)/C(N)=N/C1CC1
InChIInChI=1S/C7H12F3N3/c1-13(4-7(8,9)10)6(11)12-5-2-3-5/h5H,2-4H2,1H3,(H2,11,12)
InChIKeyRVRQWDZEUPNUDG-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.96
Rot. Bonds2

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

2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62363433) has the molecular formula C7H12F3N3 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62363433
Molecular FormulaC7H12F3N3
Molecular Weight195.19 g/mol
Exact Mass195.10
IUPAC Name2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCN(CC(F)(F)F)/C(N)=N/C1CC1
InChIInChI=1S/C7H12F3N3/c1-13(4-7(8,9)10)6(11)12-5-2-3-5/h5H,2-4H2,1H3,(H2,11,12)
InChIKeyRVRQWDZEUPNUDG-UHFFFAOYSA-N
XLogP0.96
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.96
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

1-Propan-2-yl-2-(2,2,2-trifluoroethyl)guanidine
CID 62362391
4-Imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine
CID 175042926
1-Cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 61605167
1,2-Dimethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358406
1-Cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358421
2-Methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358423
1-Cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine
CID 62362392
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-Ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363210
1-Methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363211
1-Methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363432

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62363433) is 2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine is CN(CC(F)(F)F)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is RVRQWDZEUPNUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3/c1-13(4-7(8,9)10)6(11)12-5-2-3-5/h5H,2-4H2,1H3,(H2,11,12).
What are the key properties of 2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 195.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62363433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).