N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide

C8H8F3NO3S — CID 155372027

IUPACN-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide
SMILESO=C(NOCCO)c1ccsc1C(F)(F)F
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)6-5(1-4-16-6)7(14)12-15-3-2-13/h1,4,13H,2-3H2,(H,12,14)
InChIKeyAFXZDIDRVDMPCJ-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.42
Rot. Bonds4

About N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide

N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 155372027) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID155372027
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC NameN-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide
SMILESO=C(NOCCO)c1ccsc1C(F)(F)F
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)6-5(1-4-16-6)7(14)12-15-3-2-13/h1,4,13H,2-3H2,(H,12,14)
InChIKeyAFXZDIDRVDMPCJ-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide (CID 155372027) is N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide is O=C(NOCCO)c1ccsc1C(F)(F)F.
What is the InChIKey of N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is AFXZDIDRVDMPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c9-8(10,11)6-5(1-4-16-6)7(14)12-15-3-2-13/h1,4,13H,2-3H2,(H,12,14).
What are the key properties of N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide?
N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 255.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 155372027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).