N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C10H18F3NO — CID 61490524

IUPACN-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-15-6-5-14-7-9-3-1-2-4-9/h9,14H,1-8H2
InChIKeyWFAXYECQBNAEAA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.35
Rot. Bonds6

About N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 61490524) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID61490524
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-15-6-5-14-7-9-3-1-2-4-9/h9,14H,1-8H2
InChIKeyWFAXYECQBNAEAA-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.35
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-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 61490524) is N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is WFAXYECQBNAEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)8-15-6-5-14-7-9-3-1-2-4-9/h9,14H,1-8H2.
What are the key properties of N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 225.25 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 61490524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).