N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide

C10H17F3N2O — CID 63833643

IUPACN'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide
SMILESN/C(=N\CCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-16-6-5-15-9(14)8-3-1-2-4-8/h8H,1-7H2,(H2,14,15)
InChIKeyHKBFJWXLUJUCFV-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.11
Rot. Bonds5

About N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide

N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide (PubChem CID 63833643) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide
PubChem CID63833643
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide
SMILESN/C(=N\CCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-16-6-5-15-9(14)8-3-1-2-4-8/h8H,1-7H2,(H2,14,15)
InChIKeyHKBFJWXLUJUCFV-UHFFFAOYSA-N
XLogP2.11
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide?
The IUPAC name of N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide (CID 63833643) is N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide?
The canonical SMILES for N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide is N/C(=N\CCOCC(F)(F)F)C1CCCC1.
What is the InChIKey of N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide?
The InChIKey is HKBFJWXLUJUCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)7-16-6-5-15-9(14)8-3-1-2-4-8/h8H,1-7H2,(H2,14,15).
What are the key properties of N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide?
N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide has a molecular weight of 238.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanecarboximidamide is sourced from PubChem (CID 63833643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).