4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide

C9H9Br2F2NO2S — CID 103082371

IUPAC4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCOCC(F)F)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H9Br2F2NO2S/c10-5-3-6(17-8(5)11)9(15)14-1-2-16-4-7(12)13/h3,7H,1-2,4H2,(H,14,15)
InChIKeyFEKHOIUTWRZFQH-UHFFFAOYSA-N
MW393.05 g/mol
LogP3.28
Rot. Bonds6

About 4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide

4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide (PubChem CID 103082371) has the molecular formula C9H9Br2F2NO2S and a molecular weight of 393.05 g/mol. Its IUPAC name is 4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide
PubChem CID103082371
Molecular FormulaC9H9Br2F2NO2S
Molecular Weight393.05 g/mol
Exact Mass390.87
IUPAC Name4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCOCC(F)F)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H9Br2F2NO2S/c10-5-3-6(17-8(5)11)9(15)14-1-2-16-4-7(12)13/h3,7H,1-2,4H2,(H,14,15)
InChIKeyFEKHOIUTWRZFQH-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.05
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
CID 114309271
2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103082574
4,5-dibromo-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 27682675
4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
CID 82994332
2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylbenzamide
CID 103082770
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097013
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide
CID 47439346

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide (CID 103082371) is 4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide is O=C(NCCOCC(F)F)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is FEKHOIUTWRZFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2F2NO2S/c10-5-3-6(17-8(5)11)9(15)14-1-2-16-4-7(12)13/h3,7H,1-2,4H2,(H,14,15).
What are the key properties of 4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide?
4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 393.05 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 103082371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).