N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine

C10H18F3NO2 — CID 82957862

IUPACN-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine
SMILESFC(F)(F)CCOCCNCC1CCCO1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)3-6-15-7-4-14-8-9-2-1-5-16-9/h9,14H,1-8H2
InChIKeyRZICAZCOSFMWDT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine

N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine (PubChem CID 82957862) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine
PubChem CID82957862
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine
SMILESFC(F)(F)CCOCCNCC1CCCO1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)3-6-15-7-4-14-8-9-2-1-5-16-9/h9,14H,1-8H2
InChIKeyRZICAZCOSFMWDT-UHFFFAOYSA-N
XLogP1.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.72
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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Related Compounds

2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 106206326
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 103208032
2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 103285818
2-cyclopentyloxy-N-(oxan-2-ylmethyl)ethanamine
CID 63827330
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine
CID 102656856
2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60683831
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine (CID 82957862) is N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine is FC(F)(F)CCOCCNCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine?
The InChIKey is RZICAZCOSFMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)3-6-15-7-4-14-8-9-2-1-5-16-9/h9,14H,1-8H2.
What are the key properties of N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine?
N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine has a molecular weight of 241.25 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine is sourced from PubChem (CID 82957862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).