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

C9H16F3NO — CID 61490905

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-14-5-4-7-2-1-3-8(7)13/h7-8H,1-6,13H2
InChIKeyLTSSWHZYERRVQN-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds4

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

2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine (PubChem CID 61490905) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
PubChem CID61490905
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-14-5-4-7-2-1-3-8(7)13/h7-8H,1-6,13H2
InChIKeyLTSSWHZYERRVQN-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine (CID 61490905) is 2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine is NC1CCCC1CCOCC(F)(F)F.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine?
The InChIKey is LTSSWHZYERRVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)6-14-5-4-7-2-1-3-8(7)13/h7-8H,1-6,13H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine?
2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 61490905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).