2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

C8H14F3NO2 — CID 104760682

IUPAC2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCOC1(CNCC(F)(F)F)CCOC1
InChIInChI=1S/C8H14F3NO2/c1-13-7(2-3-14-6-7)4-12-5-8(9,10)11/h12H,2-6H2,1H3
InChIKeyGPYNIBUJXWCURL-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.94
Rot. Bonds4

About 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (PubChem CID 104760682) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
PubChem CID104760682
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCOC1(CNCC(F)(F)F)CCOC1
InChIInChI=1S/C8H14F3NO2/c1-13-7(2-3-14-6-7)4-12-5-8(9,10)11/h12H,2-6H2,1H3
InChIKeyGPYNIBUJXWCURL-UHFFFAOYSA-N
XLogP0.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine with MolForge

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Related Compounds

((3-Ethoxyoxolan-3-yl)methyl)(methyl)amine
CID 105431249
Methyl(((3-(propan-2-yloxy)oxolan-3-yl)methyl))amine
CID 146082573
7,7-Dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 65127257
N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276626
1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 102870037
3,3,3-Trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanenitrile
CID 103367531
2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 103516030
2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104708935
2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104709202
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760680
3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104760690
2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760737

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (CID 104760682) is 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is COC1(CNCC(F)(F)F)CCOC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The InChIKey is GPYNIBUJXWCURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-13-7(2-3-14-6-7)4-12-5-8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine has a molecular weight of 213.20 g/mol, XLogP of 0.94, 4 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-[(3-methoxyoxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 104760682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).