3-(2,2-difluoroethoxy)-N-methyloxan-4-amine

C8H15F2NO2 — CID 82004353

IUPAC3-(2,2-difluoroethoxy)-N-methyloxan-4-amine
SMILESCNC1CCOCC1OCC(F)F
InChIInChI=1S/C8H15F2NO2/c1-11-6-2-3-12-4-7(6)13-5-8(9)10/h6-8,11H,2-5H2,1H3
InChIKeyDXGDVCRSFMUPDO-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.64
Rot. Bonds4

About 3-(2,2-difluoroethoxy)-N-methyloxan-4-amine

3-(2,2-difluoroethoxy)-N-methyloxan-4-amine (PubChem CID 82004353) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyloxan-4-amine
PubChem CID82004353
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name3-(2,2-difluoroethoxy)-N-methyloxan-4-amine
SMILESCNC1CCOCC1OCC(F)F
InChIInChI=1S/C8H15F2NO2/c1-11-6-2-3-12-4-7(6)13-5-8(9)10/h6-8,11H,2-5H2,1H3
InChIKeyDXGDVCRSFMUPDO-UHFFFAOYSA-N
XLogP0.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methyloxan-4-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyloxan-4-amine (CID 82004353) is 3-(2,2-difluoroethoxy)-N-methyloxan-4-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyloxan-4-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyloxan-4-amine is CNC1CCOCC1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyloxan-4-amine?
The InChIKey is DXGDVCRSFMUPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-11-6-2-3-12-4-7(6)13-5-8(9)10/h6-8,11H,2-5H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyloxan-4-amine?
3-(2,2-difluoroethoxy)-N-methyloxan-4-amine has a molecular weight of 195.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methyloxan-4-amine is sourced from PubChem (CID 82004353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).