2-[1-bromo-2-(2-fluorophenyl)ethyl]furan

C12H10BrFO — CID 63017056

IUPAC2-[1-bromo-2-(2-fluorophenyl)ethyl]furan
SMILESFc1ccccc1CC(Br)c1ccco1
InChIInChI=1S/C12H10BrFO/c13-10(12-6-3-7-15-12)8-9-4-1-2-5-11(9)14/h1-7,10H,8H2
InChIKeyQGIKKRQEAURTCI-UHFFFAOYSA-N
MW269.11 g/mol
LogP4.10
Rot. Bonds3

About 2-[1-bromo-2-(2-fluorophenyl)ethyl]furan

2-[1-bromo-2-(2-fluorophenyl)ethyl]furan (PubChem CID 63017056) has the molecular formula C12H10BrFO and a molecular weight of 269.11 g/mol. Its IUPAC name is 2-[1-bromo-2-(2-fluorophenyl)ethyl]furan.

Molecular Properties

Compound Name2-[1-bromo-2-(2-fluorophenyl)ethyl]furan
PubChem CID63017056
Molecular FormulaC12H10BrFO
Molecular Weight269.11 g/mol
Exact Mass267.99
IUPAC Name2-[1-bromo-2-(2-fluorophenyl)ethyl]furan
SMILESFc1ccccc1CC(Br)c1ccco1
InChIInChI=1S/C12H10BrFO/c13-10(12-6-3-7-15-12)8-9-4-1-2-5-11(9)14/h1-7,10H,8H2
InChIKeyQGIKKRQEAURTCI-UHFFFAOYSA-N
XLogP4.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 54.10
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-fluorophenyl)ethyl]-1,3-difluorobenzene
CID 55224470
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene
CID 81430334
2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan
CID 106856036
2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene
CID 63439403
[1-(2-fluorophenyl)-3-(furan-2-yl)propan-2-yl]hydrazine
CID 105206963
2-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
CID 63000314
4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115483034
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
CID 66043262
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene
CID 81158746
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029625
2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethanol
CID 62715953

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(2-fluorophenyl)ethyl]furan?
The IUPAC name of 2-[1-bromo-2-(2-fluorophenyl)ethyl]furan (CID 63017056) is 2-[1-bromo-2-(2-fluorophenyl)ethyl]furan.
What is the SMILES notation for 2-[1-bromo-2-(2-fluorophenyl)ethyl]furan?
The canonical SMILES for 2-[1-bromo-2-(2-fluorophenyl)ethyl]furan is Fc1ccccc1CC(Br)c1ccco1.
What is the InChIKey of 2-[1-bromo-2-(2-fluorophenyl)ethyl]furan?
The InChIKey is QGIKKRQEAURTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO/c13-10(12-6-3-7-15-12)8-9-4-1-2-5-11(9)14/h1-7,10H,8H2.
What are the key properties of 2-[1-bromo-2-(2-fluorophenyl)ethyl]furan?
2-[1-bromo-2-(2-fluorophenyl)ethyl]furan has a molecular weight of 269.11 g/mol, XLogP of 4.10, 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]furan is sourced from PubChem (CID 63017056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).