N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide

C9H10BrF2NOS — CID 103515241

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)C(F)F
InChIInChI=1S/C9H10BrF2NOS/c1-2-13(9(14)8(11)12)5-6-3-4-7(10)15-6/h3-4,8H,2,5H2,1H3
InChIKeyHPUBLUMTRLBTAA-UHFFFAOYSA-N
MW298.15 g/mol
LogP3.12
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide (PubChem CID 103515241) has the molecular formula C9H10BrF2NOS and a molecular weight of 298.15 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide
PubChem CID103515241
Molecular FormulaC9H10BrF2NOS
Molecular Weight298.15 g/mol
Exact Mass296.96
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)C(F)F
InChIInChI=1S/C9H10BrF2NOS/c1-2-13(9(14)8(11)12)5-6-3-4-7(10)15-6/h3-4,8H,2,5H2,1H3
InChIKeyHPUBLUMTRLBTAA-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetyl-4-[(5-bromo-2-thienyl)methyl]piperazine
CID 743462
(2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one
CID 44589356
N-((4-bromothiophen-2-yl)methyl)-2-chloro-N-methylacetamide
CID 51889861
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
2,2,2-trifluoro-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62727313
2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79036747
(5-Bromothiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 124144301
5-bromo-N-methyl-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]thiophene-2-carboxamide
CID 144434251
N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
CID 168950860
1-[4-[(5-Bromothiophen-2-yl)methyl]piperazin-1-yl]-2-sulfanylethanone
CID 145998231

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide (CID 103515241) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide is CCN(Cc1ccc(Br)s1)C(=O)C(F)F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide?
The InChIKey is HPUBLUMTRLBTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NOS/c1-2-13(9(14)8(11)12)5-6-3-4-7(10)15-6/h3-4,8H,2,5H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide has a molecular weight of 298.15 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide is sourced from PubChem (CID 103515241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).