2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene

C14H14BrFS — CID 63439403

IUPAC2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene
SMILESCCc1ccc(C(Br)Cc2ccccc2F)s1
InChIInChI=1S/C14H14BrFS/c1-2-11-7-8-14(17-11)12(15)9-10-5-3-4-6-13(10)16/h3-8,12H,2,9H2,1H3
InChIKeyPGHARCREUFFOHA-UHFFFAOYSA-N
MW313.24 g/mol
LogP5.13
Rot. Bonds4

About 2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene

2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene (PubChem CID 63439403) has the molecular formula C14H14BrFS and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene
PubChem CID63439403
Molecular FormulaC14H14BrFS
Molecular Weight313.24 g/mol
Exact Mass312.00
IUPAC Name2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene
SMILESCCc1ccc(C(Br)Cc2ccccc2F)s1
InChIInChI=1S/C14H14BrFS/c1-2-11-7-8-14(17-11)12(15)9-10-5-3-4-6-13(10)16/h3-8,12H,2,9H2,1H3
InChIKeyPGHARCREUFFOHA-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.24
LogP ≤ 55.13
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-(2-bromo-3-fluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105327035
2-[2-bromo-2-(5-ethylthiophen-2-yl)ethyl]quinoline
CID 66461445
4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115483034
2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene
CID 55224470
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
CID 79455155
2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene
CID 81158746
2-[1-bromo-2-(2-fluorophenyl)ethyl]furan
CID 63017056
2-(2,5-difluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115810060
2-(2,4-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893810
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene
CID 63430769
1-(3-bromo-2-methylpentyl)-2-fluorobenzene
CID 63561092
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029625

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene?
The IUPAC name of 2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene (CID 63439403) is 2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene.
What is the SMILES notation for 2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene?
The canonical SMILES for 2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene is CCc1ccc(C(Br)Cc2ccccc2F)s1.
What is the InChIKey of 2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene?
The InChIKey is PGHARCREUFFOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFS/c1-2-11-7-8-14(17-11)12(15)9-10-5-3-4-6-13(10)16/h3-8,12H,2,9H2,1H3.
What are the key properties of 2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene?
2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene has a molecular weight of 313.24 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene is sourced from PubChem (CID 63439403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).