N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

C14H23BrF3NO — CID 107488265

IUPACN-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESFC(F)(F)CN(CCBr)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H23BrF3NO/c15-8-9-19(11-14(16,17)18)10-12-4-7-13(20-12)5-2-1-3-6-13/h12H,1-11H2
InChIKeyNEDCRKJQCBDJBX-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.13
Rot. Bonds5

About N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (PubChem CID 107488265) has the molecular formula C14H23BrF3NO and a molecular weight of 358.24 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
PubChem CID107488265
Molecular FormulaC14H23BrF3NO
Molecular Weight358.24 g/mol
Exact Mass357.09
IUPAC NameN-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESFC(F)(F)CN(CCBr)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H23BrF3NO/c15-8-9-19(11-14(16,17)18)10-12-4-7-13(20-12)5-2-1-3-6-13/h12H,1-11H2
InChIKeyNEDCRKJQCBDJBX-UHFFFAOYSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The IUPAC name of N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (CID 107488265) is N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is FC(F)(F)CN(CCBr)CC1CCC2(CCCCC2)O1.
What is the InChIKey of N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The InChIKey is NEDCRKJQCBDJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrF3NO/c15-8-9-19(11-14(16,17)18)10-12-4-7-13(20-12)5-2-1-3-6-13/h12H,1-11H2.
What are the key properties of N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine has a molecular weight of 358.24 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is sourced from PubChem (CID 107488265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).