(2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine

C9H12FNOS — CID 67255681

IUPAC(2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
SMILESCc1c(F)sc2c1C(CN)OCC2
InChIInChI=1S/C9H12FNOS/c1-5-8-6(4-11)12-3-2-7(8)13-9(5)10/h6H,2-4,11H2,1H3
InChIKeyHWNPTXNCWWHZEW-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.77
Rot. Bonds1

About (2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine

(2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine (PubChem CID 67255681) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is (2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
PubChem CID67255681
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name(2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
SMILESCc1c(F)sc2c1C(CN)OCC2
InChIInChI=1S/C9H12FNOS/c1-5-8-6(4-11)12-3-2-7(8)13-9(5)10/h6H,2-4,11H2,1H3
InChIKeyHWNPTXNCWWHZEW-UHFFFAOYSA-N
XLogP1.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine?
The IUPAC name of (2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine (CID 67255681) is (2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine.
What is the SMILES notation for (2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine?
The canonical SMILES for (2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine is Cc1c(F)sc2c1C(CN)OCC2.
What is the InChIKey of (2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine?
The InChIKey is HWNPTXNCWWHZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-5-8-6(4-11)12-3-2-7(8)13-9(5)10/h6H,2-4,11H2,1H3.
What are the key properties of (2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine?
(2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine is sourced from PubChem (CID 67255681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).