2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene

C15H16BrFS — CID 79455155

IUPAC2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
SMILESCCc1ccc(CC(CBr)c2ccccc2F)s1
InChIInChI=1S/C15H16BrFS/c1-2-12-7-8-13(18-12)9-11(10-16)14-5-3-4-6-15(14)17/h3-8,11H,2,9-10H2,1H3
InChIKeyQFIRNFRMAPOPIA-UHFFFAOYSA-N
MW327.26 g/mol
LogP5.17
Rot. Bonds5

About 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene

2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene (PubChem CID 79455155) has the molecular formula C15H16BrFS and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
PubChem CID79455155
Molecular FormulaC15H16BrFS
Molecular Weight327.26 g/mol
Exact Mass326.01
IUPAC Name2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
SMILESCCc1ccc(CC(CBr)c2ccccc2F)s1
InChIInChI=1S/C15H16BrFS/c1-2-12-7-8-13(18-12)9-11(10-16)14-5-3-4-6-15(14)17/h3-8,11H,2,9-10H2,1H3
InChIKeyQFIRNFRMAPOPIA-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.26
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843
2-[3-bromo-2-(2-chlorophenyl)propyl]-5-ethylthiophene
CID 79454711
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048
1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
CID 79454615
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454073
2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene
CID 79434857
1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene
CID 79454466
3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79424431
4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541
1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene
CID 79454075
2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene
CID 63439403

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene?
The IUPAC name of 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene (CID 79455155) is 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene.
What is the SMILES notation for 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene?
The canonical SMILES for 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene is CCc1ccc(CC(CBr)c2ccccc2F)s1.
What is the InChIKey of 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene?
The InChIKey is QFIRNFRMAPOPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFS/c1-2-12-7-8-13(18-12)9-11(10-16)14-5-3-4-6-15(14)17/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene?
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene has a molecular weight of 327.26 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene is sourced from PubChem (CID 79455155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).