1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine

C9H16F3N3 — CID 63227577

IUPAC1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine
SMILESN/C(=N\CCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C9H16F3N3/c10-9(11,12)5-6-14-8(13)15-7-3-1-2-4-7/h7H,1-6H2,(H3,13,14,15)
InChIKeyTWJJMCNLAOBNKN-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.79
Rot. Bonds3

About 1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine

1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine (PubChem CID 63227577) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine
PubChem CID63227577
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC Name1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine
SMILESN/C(=N\CCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C9H16F3N3/c10-9(11,12)5-6-14-8(13)15-7-3-1-2-4-7/h7H,1-6H2,(H3,13,14,15)
InChIKeyTWJJMCNLAOBNKN-UHFFFAOYSA-N
XLogP1.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine (CID 63227577) is 1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine is N/C(=N\CCC(F)(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is TWJJMCNLAOBNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3/c10-9(11,12)5-6-14-8(13)15-7-3-1-2-4-7/h7H,1-6H2,(H3,13,14,15).
What are the key properties of 1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine?
1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 223.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 63227577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).