3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine

C12H21F2NO2 — CID 103149609

IUPAC3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCOCC(F)F)C1=CCCCO1
InChIInChI=1S/C12H21F2NO2/c1-2-15-10(6-8-16-9-12(13)14)11-5-3-4-7-17-11/h5,10,12,15H,2-4,6-9H2,1H3
InChIKeySMLBCZLZJOJZHK-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.33
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine

3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine (PubChem CID 103149609) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine
PubChem CID103149609
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCOCC(F)F)C1=CCCCO1
InChIInChI=1S/C12H21F2NO2/c1-2-15-10(6-8-16-9-12(13)14)11-5-3-4-7-17-11/h5,10,12,15H,2-4,6-9H2,1H3
InChIKeySMLBCZLZJOJZHK-UHFFFAOYSA-N
XLogP2.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine (CID 103149609) is 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine is CCNC(CCOCC(F)F)C1=CCCCO1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine?
The InChIKey is SMLBCZLZJOJZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-2-15-10(6-8-16-9-12(13)14)11-5-3-4-7-17-11/h5,10,12,15H,2-4,6-9H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine?
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine has a molecular weight of 249.30 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 103149609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).