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

C11H19F2NO2 — CID 103149273

IUPAC3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)C1=CCCCO1
InChIInChI=1S/C11H19F2NO2/c1-14-9(5-7-15-8-11(12)13)10-4-2-3-6-16-10/h4,9,11,14H,2-3,5-8H2,1H3
InChIKeySORWUZIWEBAQHP-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.94
Rot. Bonds7

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

3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine (PubChem CID 103149273) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
PubChem CID103149273
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)C1=CCCCO1
InChIInChI=1S/C11H19F2NO2/c1-14-9(5-7-15-8-11(12)13)10-4-2-3-6-16-10/h4,9,11,14H,2-3,5-8H2,1H3
InChIKeySORWUZIWEBAQHP-UHFFFAOYSA-N
XLogP1.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.94
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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Related Compounds

2-But-3-en-2-yl-5-(2,2-difluorobutoxy)-1,2,3,6-tetrahydropyridine
CID 91029455
N-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-3-amine
CID 141535728
4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine
CID 174310276
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102647259
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 102647260
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 102647261
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 102647827
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 102647828
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 102647829
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine
CID 102649052
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 102649349

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine (CID 103149273) is 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine is CNC(CCOCC(F)F)C1=CCCCO1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine?
The InChIKey is SORWUZIWEBAQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-14-9(5-7-15-8-11(12)13)10-4-2-3-6-16-10/h4,9,11,14H,2-3,5-8H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine?
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine has a molecular weight of 235.27 g/mol, XLogP of 1.94, 7 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-methylpropan-1-amine is sourced from PubChem (CID 103149273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).