1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine

C7H11F2NO — CID 103517061

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine
SMILESNC(C1=COCCC1)C(F)F
InChIInChI=1S/C7H11F2NO/c8-7(9)6(10)5-2-1-3-11-4-5/h4,6-7H,1-3,10H2
InChIKeyKTDNAWPTFPIJDB-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.27
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine

1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine (PubChem CID 103517061) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine
PubChem CID103517061
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine
SMILESNC(C1=COCCC1)C(F)F
InChIInChI=1S/C7H11F2NO/c8-7(9)6(10)5-2-1-3-11-4-5/h4,6-7H,1-3,10H2
InChIKeyKTDNAWPTFPIJDB-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine (CID 103517061) is 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine is NC(C1=COCCC1)C(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine?
The InChIKey is KTDNAWPTFPIJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9)6(10)5-2-1-3-11-4-5/h4,6-7H,1-3,10H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine has a molecular weight of 163.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 103517061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).