3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide

C9H10F3NO2S — CID 103723045

IUPAC3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c1-5-2-3-16-7(5)8(15)13-4-6(14)9(10,11)12/h2-3,6,14H,4H2,1H3,(H,13,15)
InChIKeyCBEAFYURIFJDGF-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.71
Rot. Bonds3

About 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide

3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide (PubChem CID 103723045) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
PubChem CID103723045
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c1-5-2-3-16-7(5)8(15)13-4-6(14)9(10,11)12/h2-3,6,14H,4H2,1H3,(H,13,15)
InChIKeyCBEAFYURIFJDGF-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide (CID 103723045) is 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
The InChIKey is CBEAFYURIFJDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-5-2-3-16-7(5)8(15)13-4-6(14)9(10,11)12/h2-3,6,14H,4H2,1H3,(H,13,15).
What are the key properties of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide has a molecular weight of 253.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 103723045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).