N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide

C10H6F3NOS — CID 15739780

IUPACN-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc2ccccc2s1)C(F)(F)F
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)9(15)14-8-5-6-3-1-2-4-7(6)16-8/h1-5H,(H,14,15)
InChIKeyKCWICDGSOZTRIJ-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.40
Rot. Bonds1

About N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide

N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 15739780) has the molecular formula C10H6F3NOS and a molecular weight of 245.23 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide
PubChem CID15739780
Molecular FormulaC10H6F3NOS
Molecular Weight245.23 g/mol
Exact Mass245.01
IUPAC NameN-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc2ccccc2s1)C(F)(F)F
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)9(15)14-8-5-6-3-1-2-4-7(6)16-8/h1-5H,(H,14,15)
InChIKeyKCWICDGSOZTRIJ-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 746770
N-(1-benzothiophen-5-yl)acetamide
CID 3290886
N-(5-Phenyl-2-thienyl)acetamide
CID 26880
tert-butyl N-(1-benzothiophen-2-yl)carbamate
CID 13182766
1-(1-Benzothiophen-2-yl)-3-(2,4-difluorophenyl)urea
CID 2811407
N-(4,5,6,7-Tetrahydrobenzo(b)thien-2-yl)acetamide
CID 580749
2,2,2-trifluoro-N-{5-[2-(trifluoromethyl)phenyl]-2-thienyl}acetamide
CID 5057162
(E)-N-(4-fluorophenyl)-3-(3-methyl-1-benzothiophen-2-yl)prop-2-enamide
CID 5716302
N-(Benzo[b]thiophen-2-yl)acetamide
CID 12290658
7-Acetylaminobenzo[b]thiophene
CID 20398762
1-Benzothiophen-2-ylurea
CID 22745149
N-(Benzo[b]thiophen-3-yl)-2,2,2-trifluoroacetamide
CID 15732925

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide (CID 15739780) is N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide is O=C(Nc1cc2ccccc2s1)C(F)(F)F.
What is the InChIKey of N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is KCWICDGSOZTRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NOS/c11-10(12,13)9(15)14-8-5-6-3-1-2-4-7(6)16-8/h1-5H,(H,14,15).
What are the key properties of N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide?
N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 245.23 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15739780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).