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

C6H10F3N3 — CID 62362392

IUPAC1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\CC(F)(F)F)NC1CC1
InChIInChI=1S/C6H10F3N3/c7-6(8,9)3-11-5(10)12-4-1-2-4/h4H,1-3H2,(H3,10,11,12)
InChIKeyXVKZKIUVMMYUFC-UHFFFAOYSA-N
MW181.16 g/mol
LogP0.62
Rot. Bonds2

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

1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62362392) has the molecular formula C6H10F3N3 and a molecular weight of 181.16 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine
PubChem CID62362392
Molecular FormulaC6H10F3N3
Molecular Weight181.16 g/mol
Exact Mass181.08
IUPAC Name1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\CC(F)(F)F)NC1CC1
InChIInChI=1S/C6H10F3N3/c7-6(8,9)3-11-5(10)12-4-1-2-4/h4H,1-3H2,(H3,10,11,12)
InChIKeyXVKZKIUVMMYUFC-UHFFFAOYSA-N
XLogP0.62
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.62
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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Related Compounds

4-(Trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine hydrochloride
CID 23026176
4-(Trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 23026177
1-Propan-2-yl-2-(2,2,2-trifluoroethyl)guanidine
CID 62362391
(6R)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 66847543
(6S)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 66847544
(6R)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
CID 68162943
(6S)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
CID 68162944
1,2-Bis(2,2,3,3-tetrafluoropropyl)guanidine
CID 89646080
2-(2-Fluoroethyl)-1-propan-2-ylguanidine
CID 123994639
Ethane;6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 144404261
2-ethyl-1-[(3R)-3-fluorobutan-2-yl]guanidine
CID 148322421
1-Cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358421

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine (CID 62362392) is 1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine is N/C(=N\CC(F)(F)F)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is XVKZKIUVMMYUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3/c7-6(8,9)3-11-5(10)12-4-1-2-4/h4H,1-3H2,(H3,10,11,12).
What are the key properties of 1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine?
1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 181.16 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62362392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).