N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide

C9H7BrF3NOS — CID 58686975

IUPACN-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCc2sc(Br)cc21)C(F)(F)F
InChIInChI=1S/C9H7BrF3NOS/c10-7-3-4-5(1-2-6(4)16-7)14-8(15)9(11,12)13/h3,5H,1-2H2,(H,14,15)
InChIKeyVLRNJNPPXCPDKN-UHFFFAOYSA-N
MW314.13 g/mol
LogP3.18
Rot. Bonds1

About N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide

N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 58686975) has the molecular formula C9H7BrF3NOS and a molecular weight of 314.13 g/mol. Its IUPAC name is N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide
PubChem CID58686975
Molecular FormulaC9H7BrF3NOS
Molecular Weight314.13 g/mol
Exact Mass312.94
IUPAC NameN-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCc2sc(Br)cc21)C(F)(F)F
InChIInChI=1S/C9H7BrF3NOS/c10-7-3-4-5(1-2-6(4)16-7)14-8(15)9(11,12)13/h3,5H,1-2H2,(H,14,15)
InChIKeyVLRNJNPPXCPDKN-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide (CID 58686975) is N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide is O=C(NC1CCc2sc(Br)cc21)C(F)(F)F.
What is the InChIKey of N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is VLRNJNPPXCPDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NOS/c10-7-3-4-5(1-2-6(4)16-7)14-8(15)9(11,12)13/h3,5H,1-2H2,(H,14,15).
What are the key properties of N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide?
N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 314.13 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58686975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).