4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C13H10F3NOS — CID 8900567

IUPAC4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C13H10F3NOS/c14-13(15,16)8-17-12(18)11-6-10(7-19-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyDOURSBHXYMIQQU-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.71
Rot. Bonds3

About 4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 8900567) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID8900567
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC Name4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C13H10F3NOS/c14-13(15,16)8-17-12(18)11-6-10(7-19-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyDOURSBHXYMIQQU-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 8900567) is 4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(NCC(F)(F)F)c1cc(-c2ccccc2)cs1.
What is the InChIKey of 4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is DOURSBHXYMIQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NOS/c14-13(15,16)8-17-12(18)11-6-10(7-19-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18).
What are the key properties of 4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 8900567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).