2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine

C8H14F3NO — CID 103275772

IUPAC2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine
SMILESFC(F)(F)CNCCC1CCOC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-12-3-1-7-2-4-13-5-7/h7,12H,1-6H2
InChIKeyFYVDTCDEHATATP-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.56
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine (PubChem CID 103275772) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine
PubChem CID103275772
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine
SMILESFC(F)(F)CNCCC1CCOC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-12-3-1-7-2-4-13-5-7/h7,12H,1-6H2
InChIKeyFYVDTCDEHATATP-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.56
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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Related Compounds

4,4-Difluoro-8-oxa-2-azaspiro[4.5]decane hydrochloride
CID 105467207
6,6-Difluoro-2-oxa-8-azaspiro[4.5]decane
CID 21955266
2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine
CID 61269934
(1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 66803307
(5S)-6,6-difluoro-2-oxa-8-azaspiro[4.5]decane
CID 69559218
6-(2,2,2-Trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 77169659
4,4-Difluoro-2-oxa-7-azaspiro[4.4]nonane
CID 83670265
(1R,5S)-6-(3,3,3-trifluoropropoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 118481576
6-(3,3,3-Trifluoropropoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 141626879
3-(1,1-Difluoro-2-methoxyethyl)pyrrolidine
CID 176121156
4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine
CID 29077851
2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55083017

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine (CID 103275772) is 2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine is FC(F)(F)CNCCC1CCOC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The InChIKey is FYVDTCDEHATATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6-12-3-1-7-2-4-13-5-7/h7,12H,1-6H2.
What are the key properties of 2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine has a molecular weight of 197.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(oxolan-3-yl)ethyl]ethanamine is sourced from PubChem (CID 103275772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).