2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine

C9H16F3NO2 — CID 62572497

IUPAC2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
SMILESFC(F)(F)CNCCOCC1CCCO1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-13-3-5-14-6-8-2-1-4-15-8/h8,13H,1-7H2
InChIKeyHSCMQIDSPPHSHN-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.33
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine (PubChem CID 62572497) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
PubChem CID62572497
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
SMILESFC(F)(F)CNCCOCC1CCCO1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-13-3-5-14-6-8-2-1-4-15-8/h8,13H,1-7H2
InChIKeyHSCMQIDSPPHSHN-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
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

N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82957862
N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
CID 62572652
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787
N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62573118
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62572494
2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111778932
4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile
CID 115651726
N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine
CID 155891671
2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 106206326
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine (CID 62572497) is 2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine is FC(F)(F)CNCCOCC1CCCO1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine?
The InChIKey is HSCMQIDSPPHSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)7-13-3-5-14-6-8-2-1-4-15-8/h8,13H,1-7H2.
What are the key properties of 2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine has a molecular weight of 227.23 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine is sourced from PubChem (CID 62572497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).