2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran

C10H8BrNO3S — CID 63017624

IUPAC2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(C(Br)Cc2cccs2)o1
InChIInChI=1S/C10H8BrNO3S/c11-8(6-7-2-1-5-16-7)9-3-4-10(15-9)12(13)14/h1-5,8H,6H2
InChIKeyNUGBDYOCGOLVFK-UHFFFAOYSA-N
MW302.15 g/mol
LogP3.93
Rot. Bonds4

About 2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran

2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran (PubChem CID 63017624) has the molecular formula C10H8BrNO3S and a molecular weight of 302.15 g/mol. Its IUPAC name is 2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran.

Molecular Properties

Compound Name2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran
PubChem CID63017624
Molecular FormulaC10H8BrNO3S
Molecular Weight302.15 g/mol
Exact Mass300.94
IUPAC Name2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(C(Br)Cc2cccs2)o1
InChIInChI=1S/C10H8BrNO3S/c11-8(6-7-2-1-5-16-7)9-3-4-10(15-9)12(13)14/h1-5,8H,6H2
InChIKeyNUGBDYOCGOLVFK-UHFFFAOYSA-N
XLogP3.93
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine
CID 61066223
2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran
CID 106689781
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-5-nitrofuran
CID 63018736
thiophen-2-ylmethyl 5-nitrofuran-2-carboxylate
CID 2375133
(5-nitrofuran-2-yl)-phenylmethanamine
CID 43463910
N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432789
1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine
CID 61078828
2-[bromo-(4-ethylphenyl)methyl]-5-nitrofuran
CID 61098126
2-[bromo-(7-bromo-1-benzothiophen-3-yl)methyl]-5-nitrofuran
CID 81129509
2-(2-bromo-3-methylpentyl)thiophene
CID 63017436
2-[2-bromo-2-(2,4,5-trimethoxyphenyl)ethyl]thiophene
CID 63017617
2-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]-5-nitrofuran
CID 115484840

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran?
The IUPAC name of 2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran (CID 63017624) is 2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran.
What is the SMILES notation for 2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran?
The canonical SMILES for 2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran is O=[N+]([O-])c1ccc(C(Br)Cc2cccs2)o1.
What is the InChIKey of 2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran?
The InChIKey is NUGBDYOCGOLVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3S/c11-8(6-7-2-1-5-16-7)9-3-4-10(15-9)12(13)14/h1-5,8H,6H2.
What are the key properties of 2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran?
2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran has a molecular weight of 302.15 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran is sourced from PubChem (CID 63017624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).