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

C9H16F3NO — CID 62621224

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
SMILESNC1(CCOCC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-5-8(13)3-1-2-4-8/h1-7,13H2
InChIKeyHEINQDYZOUEMAP-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.23
Rot. Bonds4

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

1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine (PubChem CID 62621224) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
PubChem CID62621224
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
SMILESNC1(CCOCC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-5-8(13)3-1-2-4-8/h1-7,13H2
InChIKeyHEINQDYZOUEMAP-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)ethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine (CID 62621224) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine is NC1(CCOCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine?
The InChIKey is HEINQDYZOUEMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-5-8(13)3-1-2-4-8/h1-7,13H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine?
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 62621224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).