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

C8H14F3NO — CID 61039624

IUPAC2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESFC(F)(F)CNCCC1CCCO1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-12-4-3-7-2-1-5-13-7/h7,12H,1-6H2
InChIKeyJSSUOBGDZBKJLJ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds4

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

2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine (PubChem CID 61039624) 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-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
PubChem CID61039624
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESFC(F)(F)CNCCC1CCCO1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-12-4-3-7-2-1-5-13-7/h7,12H,1-6H2
InChIKeyJSSUOBGDZBKJLJ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine (CID 61039624) is 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine is FC(F)(F)CNCCC1CCCO1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The InChIKey is JSSUOBGDZBKJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6-12-4-3-7-2-1-5-13-7/h7,12H,1-6H2.
What are the key properties of 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 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-2-yl)ethyl]ethanamine is sourced from PubChem (CID 61039624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).