N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide

C8H8BrF2NOS — CID 131182334

IUPACN-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NCc1csc(Br)c1
InChIInChI=1S/C8H8BrF2NOS/c1-8(10,11)7(13)12-3-5-2-6(9)14-4-5/h2,4H,3H2,1H3,(H,12,13)
InChIKeyIKPXYWHSADKABB-UHFFFAOYSA-N
MW284.12 g/mol
LogP2.78
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide

N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide (PubChem CID 131182334) has the molecular formula C8H8BrF2NOS and a molecular weight of 284.12 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide
PubChem CID131182334
Molecular FormulaC8H8BrF2NOS
Molecular Weight284.12 g/mol
Exact Mass282.95
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NCc1csc(Br)c1
InChIInChI=1S/C8H8BrF2NOS/c1-8(10,11)7(13)12-3-5-2-6(9)14-4-5/h2,4H,3H2,1H3,(H,12,13)
InChIKeyIKPXYWHSADKABB-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide (CID 131182334) is N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide is CC(F)(F)C(=O)NCc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide?
The InChIKey is IKPXYWHSADKABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NOS/c1-8(10,11)7(13)12-3-5-2-6(9)14-4-5/h2,4H,3H2,1H3,(H,12,13).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide?
N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide has a molecular weight of 284.12 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide is sourced from PubChem (CID 131182334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).