2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide

C10H10Br2F3NOS — CID 103839434

IUPAC2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C10H10Br2F3NOS/c11-7-5-6(8(12)18-7)9(17)16-4-2-1-3-10(13,14)15/h5H,1-4H2,(H,16,17)
InChIKeyWMGDOXHCXKFPHZ-UHFFFAOYSA-N
MW409.07 g/mol
LogP4.74
Rot. Bonds5

About 2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide

2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide (PubChem CID 103839434) has the molecular formula C10H10Br2F3NOS and a molecular weight of 409.07 g/mol. Its IUPAC name is 2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
PubChem CID103839434
Molecular FormulaC10H10Br2F3NOS
Molecular Weight409.07 g/mol
Exact Mass406.88
IUPAC Name2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C10H10Br2F3NOS/c11-7-5-6(8(12)18-7)9(17)16-4-2-1-3-10(13,14)15/h5H,1-4H2,(H,16,17)
InChIKeyWMGDOXHCXKFPHZ-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.07
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
CID 107168288
2,5-dibromo-N-(4-iodobutyl)thiophene-3-carboxamide
CID 107966422
2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide
CID 103757999
5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115491639
2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839346
5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 115514877
2,5-dibromo-N-but-3-enylthiophene-3-carboxamide
CID 107962345
2-fluoro-5-sulfanyl-N-(5,5,5-trifluoropentyl)benzamide
CID 107033370
2,5-dibromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-3-carboxamide
CID 113264618
2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
CID 115491577
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 103824764

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide (CID 103839434) is 2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide is O=C(NCCCCC(F)(F)F)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide?
The InChIKey is WMGDOXHCXKFPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2F3NOS/c11-7-5-6(8(12)18-7)9(17)16-4-2-1-3-10(13,14)15/h5H,1-4H2,(H,16,17).
What are the key properties of 2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide?
2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide has a molecular weight of 409.07 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide is sourced from PubChem (CID 103839434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).