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

C9H14F3N3 — CID 62364121

IUPAC1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\C1CC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3N3/c10-9(11,12)5-15(7-3-4-7)8(13)14-6-1-2-6/h6-7H,1-5H2,(H2,13,14)
InChIKeyGIOACBXDLSMSGS-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.49
Rot. Bonds3

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

1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62364121) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62364121
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\C1CC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3N3/c10-9(11,12)5-15(7-3-4-7)8(13)14-6-1-2-6/h6-7H,1-5H2,(H2,13,14)
InChIKeyGIOACBXDLSMSGS-UHFFFAOYSA-N
XLogP1.49
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.49
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 1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62364121) is 1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine is N/C(=N\C1CC1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is GIOACBXDLSMSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c10-9(11,12)5-15(7-3-4-7)8(13)14-6-1-2-6/h6-7H,1-5H2,(H2,13,14).
What are the key properties of 1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 221.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62364121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).