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

C10H11BrF3NOS — CID 67257617

IUPAC1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine
SMILESCNCC1OCCc2sc(Br)c(C(F)(F)F)c21
InChIInChI=1S/C10H11BrF3NOS/c1-15-4-5-7-6(2-3-16-5)17-9(11)8(7)10(12,13)14/h5,15H,2-4H2,1H3
InChIKeyJTSKSTQQTIICTJ-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.36
Rot. Bonds2

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

1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine (PubChem CID 67257617) has the molecular formula C10H11BrF3NOS and a molecular weight of 330.17 g/mol. Its IUPAC name is 1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine
PubChem CID67257617
Molecular FormulaC10H11BrF3NOS
Molecular Weight330.17 g/mol
Exact Mass328.97
IUPAC Name1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine
SMILESCNCC1OCCc2sc(Br)c(C(F)(F)F)c21
InChIInChI=1S/C10H11BrF3NOS/c1-15-4-5-7-6(2-3-16-5)17-9(11)8(7)10(12,13)14/h5,15H,2-4H2,1H3
InChIKeyJTSKSTQQTIICTJ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine (CID 67257617) is 1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine is CNCC1OCCc2sc(Br)c(C(F)(F)F)c21.
What is the InChIKey of 1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine?
The InChIKey is JTSKSTQQTIICTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NOS/c1-15-4-5-7-6(2-3-16-5)17-9(11)8(7)10(12,13)14/h5,15H,2-4H2,1H3.
What are the key properties of 1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine?
1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine has a molecular weight of 330.17 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine is sourced from PubChem (CID 67257617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).