2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine

C8H14FNS — CID 105436284

IUPAC2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)C1=CCSCC1
InChIInChI=1S/C8H14FNS/c1-8(9,6-10)7-2-4-11-5-3-7/h2H,3-6,10H2,1H3
InChIKeyGFVYDZNOAUELLC-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.74
Rot. Bonds2

About 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine

2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine (PubChem CID 105436284) has the molecular formula C8H14FNS and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine
PubChem CID105436284
Molecular FormulaC8H14FNS
Molecular Weight175.27 g/mol
Exact Mass175.08
IUPAC Name2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)C1=CCSCC1
InChIInChI=1S/C8H14FNS/c1-8(9,6-10)7-2-4-11-5-3-7/h2H,3-6,10H2,1H3
InChIKeyGFVYDZNOAUELLC-UHFFFAOYSA-N
XLogP1.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.74
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
2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine
CID 105438189
2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine
CID 105460345
2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
CID 55290343
2-(3,6-dihydro-2H-thiopyran-4-yl)propan-1-amine
CID 105430851
2-(3,6-dihydro-2H-thiopyran-4-yl)-2-methylpropan-1-amine
CID 105434985

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine?
The IUPAC name of 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine (CID 105436284) is 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine is CC(F)(CN)C1=CCSCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine?
The InChIKey is GFVYDZNOAUELLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNS/c1-8(9,6-10)7-2-4-11-5-3-7/h2H,3-6,10H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine?
2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 1.74, 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-fluoropropan-1-amine is sourced from PubChem (CID 105436284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).