2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol

C11H10F3NOS — CID 166462060

IUPAC2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1sc2ccccc2c1N)C(F)(F)F
InChIInChI=1S/C11H10F3NOS/c1-10(16,11(12,13)14)9-8(15)6-4-2-3-5-7(6)17-9/h2-5,16H,15H2,1H3
InChIKeyBZPWGHBMCWAXRO-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.25
Rot. Bonds1

About 2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol

2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 166462060) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID166462060
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Name2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1sc2ccccc2c1N)C(F)(F)F
InChIInChI=1S/C11H10F3NOS/c1-10(16,11(12,13)14)9-8(15)6-4-2-3-5-7(6)17-9/h2-5,16H,15H2,1H3
InChIKeyBZPWGHBMCWAXRO-UHFFFAOYSA-N
XLogP3.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol (CID 166462060) is 2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol is CC(O)(c1sc2ccccc2c1N)C(F)(F)F.
What is the InChIKey of 2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is BZPWGHBMCWAXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c1-10(16,11(12,13)14)9-8(15)6-4-2-3-5-7(6)17-9/h2-5,16H,15H2,1H3.
What are the key properties of 2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol?
2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 261.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-benzothiophen-2-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 166462060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).