2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene

C14H14BrFS — CID 81158746

IUPAC2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene
SMILESCc1cc(C)c(C(Br)Cc2ccccc2F)s1
InChIInChI=1S/C14H14BrFS/c1-9-7-10(2)17-14(9)12(15)8-11-5-3-4-6-13(11)16/h3-7,12H,8H2,1-2H3
InChIKeyZLTLAUWDDNMOEJ-UHFFFAOYSA-N
MW313.24 g/mol
LogP5.18
Rot. Bonds3

About 2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene

2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene (PubChem CID 81158746) 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]-3,5-dimethylthiophene.

Molecular Properties

Compound Name2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene
PubChem CID81158746
Molecular FormulaC14H14BrFS
Molecular Weight313.24 g/mol
Exact Mass312.00
IUPAC Name2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene
SMILESCc1cc(C)c(C(Br)Cc2ccccc2F)s1
InChIInChI=1S/C14H14BrFS/c1-9-7-10(2)17-14(9)12(15)8-11-5-3-4-6-13(11)16/h3-7,12H,8H2,1-2H3
InChIKeyZLTLAUWDDNMOEJ-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.24
LogP ≤ 55.18
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-[1-bromo-2-(2,3-difluorophenyl)ethyl]-3,5-dimethylthiophene
CID 81158192
2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene
CID 81158290
2-[1-bromo-2-(3-methylphenyl)ethyl]-3,5-dimethylthiophene
CID 81157821
3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene
CID 65278769
2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene
CID 55224470
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 102827158
N-[1-(2-fluorophenyl)propan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 47367907
(3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol
CID 81158529
2-[chloro-(2-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 81157986
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029625
2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene
CID 63439403
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene
CID 81430334

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene?
The IUPAC name of 2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene (CID 81158746) is 2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene.
What is the SMILES notation for 2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene?
The canonical SMILES for 2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene is Cc1cc(C)c(C(Br)Cc2ccccc2F)s1.
What is the InChIKey of 2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene?
The InChIKey is ZLTLAUWDDNMOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFS/c1-9-7-10(2)17-14(9)12(15)8-11-5-3-4-6-13(11)16/h3-7,12H,8H2,1-2H3.
What are the key properties of 2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene?
2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene has a molecular weight of 313.24 g/mol, XLogP of 5.18, 3 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]-3,5-dimethylthiophene is sourced from PubChem (CID 81158746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).