4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide

C10H11BrF3NO2S — CID 81343329

IUPAC4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide
SMILESO=C(CCCc1ccc(Br)s1)NOCC(F)(F)F
InChIInChI=1S/C10H11BrF3NO2S/c11-8-5-4-7(18-8)2-1-3-9(16)15-17-6-10(12,13)14/h4-5H,1-3,6H2,(H,15,16)
InChIKeyUCURHDHXBLXXKI-UHFFFAOYSA-N
MW346.17 g/mol
LogP3.44
Rot. Bonds6

About 4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide

4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 81343329) has the molecular formula C10H11BrF3NO2S and a molecular weight of 346.17 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide
PubChem CID81343329
Molecular FormulaC10H11BrF3NO2S
Molecular Weight346.17 g/mol
Exact Mass344.96
IUPAC Name4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide
SMILESO=C(CCCc1ccc(Br)s1)NOCC(F)(F)F
InChIInChI=1S/C10H11BrF3NO2S/c11-8-5-4-7(18-8)2-1-3-9(16)15-17-6-10(12,13)14/h4-5H,1-3,6H2,(H,15,16)
InChIKeyUCURHDHXBLXXKI-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide (CID 81343329) is 4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide is O=C(CCCc1ccc(Br)s1)NOCC(F)(F)F.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is UCURHDHXBLXXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO2S/c11-8-5-4-7(18-8)2-1-3-9(16)15-17-6-10(12,13)14/h4-5H,1-3,6H2,(H,15,16).
What are the key properties of 4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide?
4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 346.17 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 81343329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).