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

C8H15F2NO2 — CID 104760737

IUPAC2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCOC1(CNCC(F)F)CCOC1
InChIInChI=1S/C8H15F2NO2/c1-12-8(2-3-13-6-8)5-11-4-7(9)10/h7,11H,2-6H2,1H3
InChIKeyKPIPWXRQYNBLNO-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.65
Rot. Bonds5

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

2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (PubChem CID 104760737) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
PubChem CID104760737
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCOC1(CNCC(F)F)CCOC1
InChIInChI=1S/C8H15F2NO2/c1-12-8(2-3-13-6-8)5-11-4-7(9)10/h7,11H,2-6H2,1H3
InChIKeyKPIPWXRQYNBLNO-UHFFFAOYSA-N
XLogP0.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (CID 104760737) is 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is COC1(CNCC(F)F)CCOC1.
What is the InChIKey of 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The InChIKey is KPIPWXRQYNBLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-12-8(2-3-13-6-8)5-11-4-7(9)10/h7,11H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine has a molecular weight of 195.21 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 104760737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).