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

C7H11F2NS — CID 105438189

IUPAC2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)C1=CCSCC1
InChIInChI=1S/C7H11F2NS/c8-7(9,5-10)6-1-3-11-4-2-6/h1H,2-5,10H2
InChIKeyLEILQWTWQPOEOP-UHFFFAOYSA-N
MW179.23 g/mol
LogP1.64
Rot. Bonds2

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

2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine (PubChem CID 105438189) has the molecular formula C7H11F2NS and a molecular weight of 179.23 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine
PubChem CID105438189
Molecular FormulaC7H11F2NS
Molecular Weight179.23 g/mol
Exact Mass179.06
IUPAC Name2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)C1=CCSCC1
InChIInChI=1S/C7H11F2NS/c8-7(9,5-10)6-1-3-11-4-2-6/h1H,2-5,10H2
InChIKeyLEILQWTWQPOEOP-UHFFFAOYSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine
CID 105429080
2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine
CID 105431710
3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine
CID 105432721
2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine
CID 105436284
2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine
CID 105464841
2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
CID 55290343

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine?
The IUPAC name of 2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine (CID 105438189) is 2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine is NCC(F)(F)C1=CCSCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine?
The InChIKey is LEILQWTWQPOEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NS/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-thiopyran-4-yl)-2,2-difluoroethanamine?
2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine has a molecular weight of 179.23 g/mol, XLogP of 1.64, 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-thiopyran-4-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 105438189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).