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

C10H12F3NOS — CID 67257571

IUPACN-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
SMILESCNCC1OCCc2scc(C(F)(F)F)c21
InChIInChI=1S/C10H12F3NOS/c1-14-4-7-9-6(10(11,12)13)5-16-8(9)2-3-15-7/h5,7,14H,2-4H2,1H3
InChIKeyYFTVTBIOFNDYGT-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.60
Rot. Bonds2

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

N-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine (PubChem CID 67257571) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
PubChem CID67257571
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC NameN-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
SMILESCNCC1OCCc2scc(C(F)(F)F)c21
InChIInChI=1S/C10H12F3NOS/c1-14-4-7-9-6(10(11,12)13)5-16-8(9)2-3-15-7/h5,7,14H,2-4H2,1H3
InChIKeyYFTVTBIOFNDYGT-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine (CID 67257571) is N-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine is CNCC1OCCc2scc(C(F)(F)F)c21.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The InChIKey is YFTVTBIOFNDYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c1-14-4-7-9-6(10(11,12)13)5-16-8(9)2-3-15-7/h5,7,14H,2-4H2,1H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
N-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine has a molecular weight of 251.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine is sourced from PubChem (CID 67257571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).