N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide

C9H11BrFNOS — CID 130165112

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCc1sccc1Br
InChIInChI=1S/C9H11BrFNOS/c1-9(2,11)8(13)12-5-7-6(10)3-4-14-7/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyWLZMFBAFHDOTGZ-UHFFFAOYSA-N
MW280.16 g/mol
LogP2.87
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide

N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide (PubChem CID 130165112) has the molecular formula C9H11BrFNOS and a molecular weight of 280.16 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide
PubChem CID130165112
Molecular FormulaC9H11BrFNOS
Molecular Weight280.16 g/mol
Exact Mass278.97
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCc1sccc1Br
InChIInChI=1S/C9H11BrFNOS/c1-9(2,11)8(13)12-5-7-6(10)3-4-14-7/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyWLZMFBAFHDOTGZ-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide (CID 130165112) is N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide is CC(C)(F)C(=O)NCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide?
The InChIKey is WLZMFBAFHDOTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNOS/c1-9(2,11)8(13)12-5-7-6(10)3-4-14-7/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide?
N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide has a molecular weight of 280.16 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 130165112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).