2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine

C7H11F2NO — CID 105432007

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)C1=CCOCC1
InChIInChI=1S/C7H11F2NO/c8-7(9,5-10)6-1-3-11-4-2-6/h1H,2-5,10H2
InChIKeyIEZSZQJCUHNICQ-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.93
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine

2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine (PubChem CID 105432007) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine
PubChem CID105432007
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)C1=CCOCC1
InChIInChI=1S/C7H11F2NO/c8-7(9,5-10)6-1-3-11-4-2-6/h1H,2-5,10H2
InChIKeyIEZSZQJCUHNICQ-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine (CID 105432007) is 2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine is NCC(F)(F)C1=CCOCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine?
The InChIKey is IEZSZQJCUHNICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9,5-10)6-1-3-11-4-2-6/h1H,2-5,10H2.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine?
2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine has a molecular weight of 163.17 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 105432007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).