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

C8H8F3NO2S — CID 103723116

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccsc1
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)6(13)3-12-7(14)5-1-2-15-4-5/h1-2,4,6,13H,3H2,(H,12,14)
InChIKeyJDTPMJBHRZKCNN-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.40
Rot. Bonds3

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

N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide (PubChem CID 103723116) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
PubChem CID103723116
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccsc1
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)6(13)3-12-7(14)5-1-2-15-4-5/h1-2,4,6,13H,3H2,(H,12,14)
InChIKeyJDTPMJBHRZKCNN-UHFFFAOYSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide (CID 103723116) is N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide is O=C(NCC(O)C(F)(F)F)c1ccsc1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The InChIKey is JDTPMJBHRZKCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c9-8(10,11)6(13)3-12-7(14)5-1-2-15-4-5/h1-2,4,6,13H,3H2,(H,12,14).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide has a molecular weight of 239.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 103723116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).