2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

C13H16F3NOS — CID 107484844

IUPAC2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC1Cc2ccccc2S1)CC(F)(F)F
InChIInChI=1S/C13H16F3NOS/c14-13(15,16)9-17(5-6-18)8-11-7-10-3-1-2-4-12(10)19-11/h1-4,11,18H,5-9H2
InChIKeyUPFCQNBTXQYPNP-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.56
Rot. Bonds5

About 2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484844) has the molecular formula C13H16F3NOS and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484844
Molecular FormulaC13H16F3NOS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC1Cc2ccccc2S1)CC(F)(F)F
InChIInChI=1S/C13H16F3NOS/c14-13(15,16)9-17(5-6-18)8-11-7-10-3-1-2-4-12(10)19-11/h1-4,11,18H,5-9H2
InChIKeyUPFCQNBTXQYPNP-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (CID 107484844) is 2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC1Cc2ccccc2S1)CC(F)(F)F.
What is the InChIKey of 2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is UPFCQNBTXQYPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOS/c14-13(15,16)9-17(5-6-18)8-11-7-10-3-1-2-4-12(10)19-11/h1-4,11,18H,5-9H2.
What are the key properties of 2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 291.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).