5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C8H8F3NOS — CID 70669454

IUPAC5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C8H8F3NOS/c1-5-2-6(3-14-5)7(13)12-4-8(9,10)11/h2-3H,4H2,1H3,(H,12,13)
InChIKeyOIXSJSAPKGHWRT-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.35
Rot. Bonds2

About 5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 70669454) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID70669454
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C8H8F3NOS/c1-5-2-6(3-14-5)7(13)12-4-8(9,10)11/h2-3H,4H2,1H3,(H,12,13)
InChIKeyOIXSJSAPKGHWRT-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 70669454) is 5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is Cc1cc(C(=O)NCC(F)(F)F)cs1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is OIXSJSAPKGHWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-5-2-6(3-14-5)7(13)12-4-8(9,10)11/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 223.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 70669454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).