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

C9H16F3NO2 — CID 61490796

IUPACN-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCOC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-4-2-13-5-8-1-3-14-6-8/h8,13H,1-7H2
InChIKeyMATUIKCOFVOAJY-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.19
Rot. Bonds6

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

N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 61490796) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID61490796
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC NameN-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCOC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-4-2-13-5-8-1-3-14-6-8/h8,13H,1-7H2
InChIKeyMATUIKCOFVOAJY-UHFFFAOYSA-N
XLogP1.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.19
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-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
N-(oxan-3-ylmethyl)-2-propoxyethanamine
CID 106451725
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 86850738
N-(oxolan-3-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
CID 62584158
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-ol
CID 66006339
N'-ethyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553668
2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 82825971
2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 62564827

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 61490796) is N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is MATUIKCOFVOAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)7-15-4-2-13-5-8-1-3-14-6-8/h8,13H,1-7H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 227.23 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 61490796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).