ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine

C12H18F3NOS — CID 142603267

IUPACethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
SMILESCC.CNCC1OCCc2sc(C(F)(F)F)cc21
InChIInChI=1S/C10H12F3NOS.C2H6/c1-14-5-7-6-4-9(10(11,12)13)16-8(6)2-3-15-7;1-2/h4,7,14H,2-3,5H2,1H3;1-2H3
InChIKeyGBMXIYOPWXWXJA-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.63
Rot. Bonds2

About ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine

ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine (PubChem CID 142603267) has the molecular formula C12H18F3NOS and a molecular weight of 281.34 g/mol. Its IUPAC name is ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
PubChem CID142603267
Molecular FormulaC12H18F3NOS
Molecular Weight281.34 g/mol
Exact Mass281.11
IUPAC Nameethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
SMILESCC.CNCC1OCCc2sc(C(F)(F)F)cc21
InChIInChI=1S/C10H12F3NOS.C2H6/c1-14-5-7-6-4-9(10(11,12)13)16-8(6)2-3-15-7;1-2/h4,7,14H,2-3,5H2,1H3;1-2H3
InChIKeyGBMXIYOPWXWXJA-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The IUPAC name of ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine (CID 142603267) is ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine.
What is the SMILES notation for ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The canonical SMILES for ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine is CC.CNCC1OCCc2sc(C(F)(F)F)cc21.
What is the InChIKey of ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The InChIKey is GBMXIYOPWXWXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS.C2H6/c1-14-5-7-6-4-9(10(11,12)13)16-8(6)2-3-15-7;1-2/h4,7,14H,2-3,5H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine has a molecular weight of 281.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine is sourced from PubChem (CID 142603267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).