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

C11H16F3NOS — CID 142603310

IUPACethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
SMILESCC.NCC1OCCc2sc(C(F)(F)F)cc21
InChIInChI=1S/C9H10F3NOS.C2H6/c10-9(11,12)8-3-5-6(4-13)14-2-1-7(5)15-8;1-2/h3,6H,1-2,4,13H2;1-2H3
InChIKeyHDVARBRQGPISBR-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.37
Rot. Bonds1

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

ethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine (PubChem CID 142603310) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is ethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine.

Molecular Properties

Compound Nameethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
PubChem CID142603310
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Nameethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
SMILESCC.NCC1OCCc2sc(C(F)(F)F)cc21
InChIInChI=1S/C9H10F3NOS.C2H6/c10-9(11,12)8-3-5-6(4-13)14-2-1-7(5)15-8;1-2/h3,6H,1-2,4,13H2;1-2H3
InChIKeyHDVARBRQGPISBR-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The IUPAC name of ethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine (CID 142603310) is ethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine.
What is the SMILES notation for ethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The canonical SMILES for ethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine is CC.NCC1OCCc2sc(C(F)(F)F)cc21.
What is the InChIKey of ethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The InChIKey is HDVARBRQGPISBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS.C2H6/c10-9(11,12)8-3-5-6(4-13)14-2-1-7(5)15-8;1-2/h3,6H,1-2,4,13H2;1-2H3.
What are the key properties of ethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
ethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine has a molecular weight of 267.32 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine is sourced from PubChem (CID 142603310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).