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

C7H12FNS — CID 105431710

IUPAC2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine
SMILESNCC(F)C1=CCSCC1
InChIInChI=1S/C7H12FNS/c8-7(5-9)6-1-3-10-4-2-6/h1,7H,2-5,9H2
InChIKeyPYHGVLCGBKHZDR-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.35
Rot. Bonds2

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

2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine (PubChem CID 105431710) has the molecular formula C7H12FNS and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine
PubChem CID105431710
Molecular FormulaC7H12FNS
Molecular Weight161.24 g/mol
Exact Mass161.07
IUPAC Name2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine
SMILESNCC(F)C1=CCSCC1
InChIInChI=1S/C7H12FNS/c8-7(5-9)6-1-3-10-4-2-6/h1,7H,2-5,9H2
InChIKeyPYHGVLCGBKHZDR-UHFFFAOYSA-N
XLogP1.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.35
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

2-(Thian-4-ylidene)ethan-1-amine hydrochloride
CID 137971647
3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine
CID 105429080
1-(3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine
CID 105431711
2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine
CID 105436284
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-fluoroethanamine
CID 105446954
2-(Thian-4-ylidene)ethan-1-amine
CID 112655253
2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
CID 55290343
(2Z)-2-(thian-3-ylidene)ethanamine
CID 63969463
3-(Thian-3-ylidene)propan-1-amine
CID 76997019
2-(Thian-3-ylidene)ethanamine
CID 76997125
3-(3,6-dihydro-2H-thiopyran-4-yl)propan-1-amine
CID 84049775

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine?
The IUPAC name of 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine (CID 105431710) is 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine is NCC(F)C1=CCSCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine?
The InChIKey is PYHGVLCGBKHZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNS/c8-7(5-9)6-1-3-10-4-2-6/h1,7H,2-5,9H2.
What are the key properties of 2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine?
2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine has a molecular weight of 161.24 g/mol, XLogP of 1.35, 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-fluoroethanamine is sourced from PubChem (CID 105431710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).