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

C9H10F3NOS — CID 53237588

IUPAC[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
SMILESNCC1OCCc2sc(C(F)(F)F)cc21
InChIInChI=1S/C9H10F3NOS/c10-9(11,12)8-3-5-6(4-13)14-2-1-7(5)15-8/h3,6H,1-2,4,13H2
InChIKeyQOBIIVIPOBDOEC-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.34
Rot. Bonds1

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

[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine (PubChem CID 53237588) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is [2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
PubChem CID53237588
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
SMILESNCC1OCCc2sc(C(F)(F)F)cc21
InChIInChI=1S/C9H10F3NOS/c10-9(11,12)8-3-5-6(4-13)14-2-1-7(5)15-8/h3,6H,1-2,4,13H2
InChIKeyQOBIIVIPOBDOEC-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The IUPAC name of [2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine (CID 53237588) is [2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine.
What is the SMILES notation for [2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The canonical SMILES for [2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine is NCC1OCCc2sc(C(F)(F)F)cc21.
What is the InChIKey of [2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The InChIKey is QOBIIVIPOBDOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c10-9(11,12)8-3-5-6(4-13)14-2-1-7(5)15-8/h3,6H,1-2,4,13H2.
What are the key properties of [2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine has a molecular weight of 237.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine is sourced from PubChem (CID 53237588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).