N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C12H14F3NO2S — CID 71796134

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1ccsc1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)8-16(10-1-4-18-5-2-10)11(17)9-3-6-19-7-9/h3,6-7,10H,1-2,4-5,8H2
InChIKeyAJXVIURKCBAOPW-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.93
Rot. Bonds3

About N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 71796134) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID71796134
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1ccsc1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)8-16(10-1-4-18-5-2-10)11(17)9-3-6-19-7-9/h3,6-7,10H,1-2,4-5,8H2
InChIKeyAJXVIURKCBAOPW-UHFFFAOYSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 71796134) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is O=C(c1ccsc1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is AJXVIURKCBAOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c13-12(14,15)8-16(10-1-4-18-5-2-10)11(17)9-3-6-19-7-9/h3,6-7,10H,1-2,4-5,8H2.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 293.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 71796134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).