N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H22F3NO2 — CID 63827667

IUPACN-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCOC1CCCC1
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)10-17-8-3-6-16-7-9-18-11-4-1-2-5-11/h11,16H,1-10H2
InChIKeyZGZBDMLGGOAQJQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.50
Rot. Bonds9

About N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 63827667) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID63827667
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCOC1CCCC1
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)10-17-8-3-6-16-7-9-18-11-4-1-2-5-11/h11,16H,1-10H2
InChIKeyZGZBDMLGGOAQJQ-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.50
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 N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 63827667) is N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)COCCCNCCOC1CCCC1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is ZGZBDMLGGOAQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c13-12(14,15)10-17-8-3-6-16-7-9-18-11-4-1-2-5-11/h11,16H,1-10H2.
What are the key properties of N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 269.31 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 63827667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).