1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine

C10H18F3NO2 — CID 64572036

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine
SMILESNC1(COCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-5-15-7-9(14)3-1-2-4-9/h1-8,14H2
InChIKeyUZYINGBKHXLUOS-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds6

About 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine

1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine (PubChem CID 64572036) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine
PubChem CID64572036
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine
SMILESNC1(COCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-5-15-7-9(14)3-1-2-4-9/h1-8,14H2
InChIKeyUZYINGBKHXLUOS-UHFFFAOYSA-N
XLogP1.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine (CID 64572036) is 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine is NC1(COCCOCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine?
The InChIKey is UZYINGBKHXLUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-5-15-7-9(14)3-1-2-4-9/h1-8,14H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine?
1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine has a molecular weight of 241.25 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 64572036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).