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

C9H16F3N3 — CID 62361396

IUPAC2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCN(CC(F)(F)F)/C(N)=N/C1CCCC1
InChIInChI=1S/C9H16F3N3/c1-15(6-9(10,11)12)8(13)14-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,13,14)
InChIKeyQOTVJCLXOVEVCV-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.74
Rot. Bonds2

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

2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62361396) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62361396
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC Name2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCN(CC(F)(F)F)/C(N)=N/C1CCCC1
InChIInChI=1S/C9H16F3N3/c1-15(6-9(10,11)12)8(13)14-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,13,14)
InChIKeyQOTVJCLXOVEVCV-UHFFFAOYSA-N
XLogP1.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.74
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

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-Cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361397
2-Cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361427
2-Cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362297
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-Ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362806
2-Ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364569
1-Propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364796
1,2-Di(propan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 62364797

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62361396) is 2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine is CN(CC(F)(F)F)/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is QOTVJCLXOVEVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3/c1-15(6-9(10,11)12)8(13)14-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,13,14).
What are the key properties of 2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 223.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62361396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).