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

C7H12F3NO — CID 28595890

IUPAC2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESFC(F)(F)CNC[C@@H]1CCCO1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5-11-4-6-2-1-3-12-6/h6,11H,1-5H2/t6-/m0/s1
InChIKeyLNIOGLQSYKEKRP-LURJTMIESA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds3

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

2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (PubChem CID 28595890) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
PubChem CID28595890
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESFC(F)(F)CNC[C@@H]1CCCO1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5-11-4-6-2-1-3-12-6/h6,11H,1-5H2/t6-/m0/s1
InChIKeyLNIOGLQSYKEKRP-LURJTMIESA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (CID 28595890) is 2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine is FC(F)(F)CNC[C@@H]1CCCO1.
What is the InChIKey of 2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The InChIKey is LNIOGLQSYKEKRP-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)5-11-4-6-2-1-3-12-6/h6,11H,1-5H2/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 3 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-[[(2S)-oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 28595890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).