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

C6H9F2NS — CID 105432721

IUPAC3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine
SMILESNC(F)(F)C1=CCSCC1
InChIInChI=1S/C6H9F2NS/c7-6(8,9)5-1-3-10-4-2-5/h1H,2-4,9H2
InChIKeyDXXLGOVTWIFNDE-UHFFFAOYSA-N
MW165.21 g/mol
LogP1.60
Rot. Bonds1

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

3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine (PubChem CID 105432721) has the molecular formula C6H9F2NS and a molecular weight of 165.21 g/mol. Its IUPAC name is 3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine.

Molecular Properties

Compound Name3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine
PubChem CID105432721
Molecular FormulaC6H9F2NS
Molecular Weight165.21 g/mol
Exact Mass165.04
IUPAC Name3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine
SMILESNC(F)(F)C1=CCSCC1
InChIInChI=1S/C6H9F2NS/c7-6(8,9)5-1-3-10-4-2-5/h1H,2-4,9H2
InChIKeyDXXLGOVTWIFNDE-UHFFFAOYSA-N
XLogP1.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine?
The IUPAC name of 3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine (CID 105432721) is 3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine.
What is the SMILES notation for 3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine?
The canonical SMILES for 3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine is NC(F)(F)C1=CCSCC1.
What is the InChIKey of 3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine?
The InChIKey is DXXLGOVTWIFNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NS/c7-6(8,9)5-1-3-10-4-2-5/h1H,2-4,9H2.
What are the key properties of 3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine?
3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine has a molecular weight of 165.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine is sourced from PubChem (CID 105432721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).