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

C7H12FNS — CID 105431711

IUPAC1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine
SMILESCC(N)(F)C1=CCSCC1
InChIInChI=1S/C7H12FNS/c1-7(8,9)6-2-4-10-5-3-6/h2H,3-5,9H2,1H3
InChIKeyMXCDPVBZFDELHK-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.69
Rot. Bonds1

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

1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine (PubChem CID 105431711) has the molecular formula C7H12FNS and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine
PubChem CID105431711
Molecular FormulaC7H12FNS
Molecular Weight161.25 g/mol
Exact Mass161.07
IUPAC Name1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine
SMILESCC(N)(F)C1=CCSCC1
InChIInChI=1S/C7H12FNS/c1-7(8,9)6-2-4-10-5-3-6/h2H,3-5,9H2,1H3
InChIKeyMXCDPVBZFDELHK-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.69
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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Related Compounds

2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine
CID 105431710
3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine
CID 105432721
1-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine
CID 105446955
1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
CID 105428579
2-(3,6-dihydro-2H-thiopyran-4-yl)propan-2-amine
CID 105430852

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine?
The IUPAC name of 1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine (CID 105431711) is 1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine.
What is the SMILES notation for 1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine?
The canonical SMILES for 1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine is CC(N)(F)C1=CCSCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine?
The InChIKey is MXCDPVBZFDELHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNS/c1-7(8,9)6-2-4-10-5-3-6/h2H,3-5,9H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine?
1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine has a molecular weight of 161.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine is sourced from PubChem (CID 105431711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).