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

C14H10BrF3 — CID 55224470

IUPAC2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene
SMILESFc1ccccc1CC(Br)c1c(F)cccc1F
InChIInChI=1S/C14H10BrF3/c15-10(8-9-4-1-2-5-11(9)16)14-12(17)6-3-7-13(14)18/h1-7,10H,8H2
InChIKeyJPJTXXHGWRPYEB-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.78
Rot. Bonds3

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

2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene (PubChem CID 55224470) has the molecular formula C14H10BrF3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene
PubChem CID55224470
Molecular FormulaC14H10BrF3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene
SMILESFc1ccccc1CC(Br)c1c(F)cccc1F
InChIInChI=1S/C14H10BrF3/c15-10(8-9-4-1-2-5-11(9)16)14-12(17)6-3-7-13(14)18/h1-7,10H,8H2
InChIKeyJPJTXXHGWRPYEB-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
CID 63543762
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene
CID 81430334
2-[1-bromo-2-(2-fluorophenyl)ethyl]furan
CID 63017056
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029625
4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115483034
2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene
CID 63439403
2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene
CID 81158746
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 63018085
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
7-bromo-3-[1-bromo-2-(2-fluorophenyl)ethyl]-1-benzothiophene
CID 81147108
1-[1-bromo-2-(2-methylphenyl)ethyl]-2,3,4,5,6-pentafluorobenzene
CID 63544372
1-(3-bromo-2-methylpentyl)-2-fluorobenzene
CID 63561092

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene?
The IUPAC name of 2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene (CID 55224470) is 2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene.
What is the SMILES notation for 2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene?
The canonical SMILES for 2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene is Fc1ccccc1CC(Br)c1c(F)cccc1F.
What is the InChIKey of 2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene?
The InChIKey is JPJTXXHGWRPYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3/c15-10(8-9-4-1-2-5-11(9)16)14-12(17)6-3-7-13(14)18/h1-7,10H,8H2.
What are the key properties of 2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene?
2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene has a molecular weight of 315.13 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene is sourced from PubChem (CID 55224470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).