2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol

C11H14F3NOS — CID 83985724

IUPAC2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
SMILESOC1CCCc2sc(CNCC(F)(F)F)cc21
InChIInChI=1S/C11H14F3NOS/c12-11(13,14)6-15-5-7-4-8-9(16)2-1-3-10(8)17-7/h4,9,15-16H,1-3,5-6H2
InChIKeyRYVIVPBXGGNYPE-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.77
Rot. Bonds3

About 2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol

2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol (PubChem CID 83985724) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
PubChem CID83985724
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
SMILESOC1CCCc2sc(CNCC(F)(F)F)cc21
InChIInChI=1S/C11H14F3NOS/c12-11(13,14)6-15-5-7-4-8-9(16)2-1-3-10(8)17-7/h4,9,15-16H,1-3,5-6H2
InChIKeyRYVIVPBXGGNYPE-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol?
The IUPAC name of 2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol (CID 83985724) is 2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol.
What is the SMILES notation for 2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol?
The canonical SMILES for 2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol is OC1CCCc2sc(CNCC(F)(F)F)cc21.
What is the InChIKey of 2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol?
The InChIKey is RYVIVPBXGGNYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c12-11(13,14)6-15-5-7-4-8-9(16)2-1-3-10(8)17-7/h4,9,15-16H,1-3,5-6H2.
What are the key properties of 2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol?
2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol has a molecular weight of 265.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,2-trifluoroethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol is sourced from PubChem (CID 83985724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).