N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine

C9H16F3NO — CID 60732957

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine
SMILESFC(F)(F)COCCNC1CCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-5-13-8-3-1-2-4-8/h8,13H,1-7H2
InChIKeyXUOSBVQCRJVKDR-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine

N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine (PubChem CID 60732957) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine
PubChem CID60732957
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine
SMILESFC(F)(F)COCCNC1CCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-5-13-8-3-1-2-4-8/h8,13H,1-7H2
InChIKeyXUOSBVQCRJVKDR-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
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 N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine (CID 60732957) is N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine is FC(F)(F)COCCNC1CCCC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine?
The InChIKey is XUOSBVQCRJVKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-5-13-8-3-1-2-4-8/h8,13H,1-7H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 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]cyclopentanamine is sourced from PubChem (CID 60732957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).