N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C10H7F4NO2S — CID 67327050

IUPACN-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESC=C(F)CNC(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C10H7F4NO2S/c1-5(11)4-15-9(17)7-3-2-6(18-7)8(16)10(12,13)14/h2-3H,1,4H2,(H,15,17)
InChIKeyMGZBYBASSIIHHN-UHFFFAOYSA-N
MW281.23 g/mol
LogP2.71
Rot. Bonds4

About N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 67327050) has the molecular formula C10H7F4NO2S and a molecular weight of 281.23 g/mol. Its IUPAC name is N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID67327050
Molecular FormulaC10H7F4NO2S
Molecular Weight281.23 g/mol
Exact Mass281.01
IUPAC NameN-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESC=C(F)CNC(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C10H7F4NO2S/c1-5(11)4-15-9(17)7-3-2-6(18-7)8(16)10(12,13)14/h2-3H,1,4H2,(H,15,17)
InChIKeyMGZBYBASSIIHHN-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 67327050) is N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is C=C(F)CNC(=O)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is MGZBYBASSIIHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NO2S/c1-5(11)4-15-9(17)7-3-2-6(18-7)8(16)10(12,13)14/h2-3H,1,4H2,(H,15,17).
What are the key properties of N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 281.23 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 67327050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).