N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide

C8H7BrF3NOS — CID 60793569

IUPACN-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCc1cc(Br)cs1
InChIInChI=1S/C8H7BrF3NOS/c9-5-1-6(15-4-5)3-13-7(14)2-8(10,11)12/h1,4H,2-3H2,(H,13,14)
InChIKeyBZBJNUNJABXKHQ-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.08
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide

N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 60793569) has the molecular formula C8H7BrF3NOS and a molecular weight of 302.12 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide
PubChem CID60793569
Molecular FormulaC8H7BrF3NOS
Molecular Weight302.12 g/mol
Exact Mass300.94
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCc1cc(Br)cs1
InChIInChI=1S/C8H7BrF3NOS/c9-5-1-6(15-4-5)3-13-7(14)2-8(10,11)12/h1,4H,2-3H2,(H,13,14)
InChIKeyBZBJNUNJABXKHQ-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide (CID 60793569) is N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is BZBJNUNJABXKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NOS/c9-5-1-6(15-4-5)3-13-7(14)2-8(10,11)12/h1,4H,2-3H2,(H,13,14).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide?
N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide has a molecular weight of 302.12 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 60793569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).