5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

C13H9F4NO2S — CID 135309187

IUPAC5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)s1
InChIInChI=1S/C13H9F4NO2S/c14-11-6-5-10(21-11)12(19)18-7-8-1-3-9(4-2-8)20-13(15,16)17/h1-6H,7H2,(H,18,19)
InChIKeyWLWACLLGPKWRBY-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.72
Rot. Bonds4

About 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 135309187) has the molecular formula C13H9F4NO2S and a molecular weight of 319.28 g/mol. Its IUPAC name is 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID135309187
Molecular FormulaC13H9F4NO2S
Molecular Weight319.28 g/mol
Exact Mass319.03
IUPAC Name5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)s1
InChIInChI=1S/C13H9F4NO2S/c14-11-6-5-10(21-11)12(19)18-7-8-1-3-9(4-2-8)20-13(15,16)17/h1-6H,7H2,(H,18,19)
InChIKeyWLWACLLGPKWRBY-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 146193236
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555
5-iodo-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 78949795
N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 67315725
tert-butyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 63787638
2-bromo-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 43168090
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 18225179
ethyl 4-[[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]methyl]benzoate
CID 10049366
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
2-hydroxyethyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 79346573

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 135309187) is 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)s1.
What is the InChIKey of 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is WLWACLLGPKWRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO2S/c14-11-6-5-10(21-11)12(19)18-7-8-1-3-9(4-2-8)20-13(15,16)17/h1-6H,7H2,(H,18,19).
What are the key properties of 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 319.28 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 135309187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).