2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C9H7Br3F3NOS — CID 107966465

IUPAC2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1cc(Br)sc1Br)N(CCBr)CC(F)(F)F
InChIInChI=1S/C9H7Br3F3NOS/c10-1-2-16(4-9(13,14)15)8(17)5-3-6(11)18-7(5)12/h3H,1-2,4H2
InChIKeyIURKRAPWYMTXNQ-UHFFFAOYSA-N
MW473.93 g/mol
LogP4.67
Rot. Bonds4

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

2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 107966465) has the molecular formula C9H7Br3F3NOS and a molecular weight of 473.93 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID107966465
Molecular FormulaC9H7Br3F3NOS
Molecular Weight473.93 g/mol
Exact Mass470.78
IUPAC Name2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1cc(Br)sc1Br)N(CCBr)CC(F)(F)F
InChIInChI=1S/C9H7Br3F3NOS/c10-1-2-16(4-9(13,14)15)8(17)5-3-6(11)18-7(5)12/h3H,1-2,4H2
InChIKeyIURKRAPWYMTXNQ-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.93
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide
CID 107966256
2,5-dibromo-N,N-diethylthiophene-3-carboxamide
CID 103672324
N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726301
2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide
CID 114263913
2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide
CID 114021292
N-(2-bromoethyl)-4-fluoro-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 107492675
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 107492513
N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492398
N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492577
1-(2,5-dibromothiophen-3-yl)-2-(3,3,3-trifluoropropoxy)ethanone
CID 82956286
3-bromo-N-(2-bromoethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492573
N-(2-amino-2-sulfanylideneethyl)-2,5-dibromo-N-propylthiophene-3-carboxamide
CID 114021243

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 107966465) is 2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is O=C(c1cc(Br)sc1Br)N(CCBr)CC(F)(F)F.
What is the InChIKey of 2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is IURKRAPWYMTXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br3F3NOS/c10-1-2-16(4-9(13,14)15)8(17)5-3-6(11)18-7(5)12/h3H,1-2,4H2.
What are the key properties of 2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 473.93 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 107966465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).