1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C12H22F3NO2 — CID 103216467

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC1(C)CC(C(N)COCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C12H22F3NO2/c1-10(2)5-8(11(3,4)18-10)9(16)6-17-7-12(13,14)15/h8-9H,5-7,16H2,1-4H3
InChIKeyVEFFRHZGMQHNQG-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.49
Rot. Bonds4

About 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216467) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216467
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC1(C)CC(C(N)COCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C12H22F3NO2/c1-10(2)5-8(11(3,4)18-10)9(16)6-17-7-12(13,14)15/h8-9H,5-7,16H2,1-4H3
InChIKeyVEFFRHZGMQHNQG-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,5,5-Tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147952
N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148226
3-(2,2-Difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103148800
3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103149133
N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216466
N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216470
N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216472
5-Methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103216587
2-(2,2,3,3-Tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 103474705
N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 103475274
[2-(2,2,3,3-Tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]hydrazine
CID 103477635
1-(Oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216467) is 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CC1(C)CC(C(N)COCC(F)(F)F)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is VEFFRHZGMQHNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-10(2)5-8(11(3,4)18-10)9(16)6-17-7-12(13,14)15/h8-9H,5-7,16H2,1-4H3.
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 269.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).