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

C8H8BrF2NOS — CID 131165640

IUPACN-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NCc1ccsc1Br
InChIInChI=1S/C8H8BrF2NOS/c1-8(10,11)7(13)12-4-5-2-3-14-6(5)9/h2-3H,4H2,1H3,(H,12,13)
InChIKeyIZJONJGCMVOXSU-UHFFFAOYSA-N
MW284.12 g/mol
LogP2.78
Rot. Bonds3

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

N-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide (PubChem CID 131165640) has the molecular formula C8H8BrF2NOS and a molecular weight of 284.12 g/mol. Its IUPAC name is N-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide
PubChem CID131165640
Molecular FormulaC8H8BrF2NOS
Molecular Weight284.12 g/mol
Exact Mass282.95
IUPAC NameN-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NCc1ccsc1Br
InChIInChI=1S/C8H8BrF2NOS/c1-8(10,11)7(13)12-4-5-2-3-14-6(5)9/h2-3H,4H2,1H3,(H,12,13)
InChIKeyIZJONJGCMVOXSU-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-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide?
The IUPAC name of N-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide (CID 131165640) is N-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide.
What is the SMILES notation for N-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide?
The canonical SMILES for N-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide is CC(F)(F)C(=O)NCc1ccsc1Br.
What is the InChIKey of N-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide?
The InChIKey is IZJONJGCMVOXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NOS/c1-8(10,11)7(13)12-4-5-2-3-14-6(5)9/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of N-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide?
N-[(2-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-[(2-bromothiophen-3-yl)methyl]-2,2-difluoropropanamide is sourced from PubChem (CID 131165640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).