3-[1-bromo-2-(3-fluorophenyl)ethyl]furan

C12H10BrFO — CID 63018725

IUPAC3-[1-bromo-2-(3-fluorophenyl)ethyl]furan
SMILESFc1cccc(CC(Br)c2ccoc2)c1
InChIInChI=1S/C12H10BrFO/c13-12(10-4-5-15-8-10)7-9-2-1-3-11(14)6-9/h1-6,8,12H,7H2
InChIKeyHSEVTGPDSDPGIK-UHFFFAOYSA-N
MW269.11 g/mol
LogP4.10
Rot. Bonds3

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

3-[1-bromo-2-(3-fluorophenyl)ethyl]furan (PubChem CID 63018725) has the molecular formula C12H10BrFO and a molecular weight of 269.11 g/mol. Its IUPAC name is 3-[1-bromo-2-(3-fluorophenyl)ethyl]furan.

Molecular Properties

Compound Name3-[1-bromo-2-(3-fluorophenyl)ethyl]furan
PubChem CID63018725
Molecular FormulaC12H10BrFO
Molecular Weight269.11 g/mol
Exact Mass267.99
IUPAC Name3-[1-bromo-2-(3-fluorophenyl)ethyl]furan
SMILESFc1cccc(CC(Br)c2ccoc2)c1
InChIInChI=1S/C12H10BrFO/c13-12(10-4-5-15-8-10)7-9-2-1-3-11(14)6-9/h1-6,8,12H,7H2
InChIKeyHSEVTGPDSDPGIK-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-(3-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 61078347
1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene
CID 63543838
1-[2-bromo-2-(4-tert-butylphenyl)ethyl]-3-fluorobenzene
CID 63439710
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-propylbenzene
CID 63440508
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304292
2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
CID 83182297
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905
1-[2-bromo-2-(4-butoxyphenyl)ethyl]-3-fluorobenzene
CID 63543665
2-[1-bromo-2-(3-fluorophenyl)ethyl]-1,3-dimethoxybenzene
CID 63543671
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
1-(3-fluorophenyl)-2-(furan-3-yl)ethanol
CID 83171476

Frequently Asked Questions

What is the IUPAC name of 3-[1-bromo-2-(3-fluorophenyl)ethyl]furan?
The IUPAC name of 3-[1-bromo-2-(3-fluorophenyl)ethyl]furan (CID 63018725) is 3-[1-bromo-2-(3-fluorophenyl)ethyl]furan.
What is the SMILES notation for 3-[1-bromo-2-(3-fluorophenyl)ethyl]furan?
The canonical SMILES for 3-[1-bromo-2-(3-fluorophenyl)ethyl]furan is Fc1cccc(CC(Br)c2ccoc2)c1.
What is the InChIKey of 3-[1-bromo-2-(3-fluorophenyl)ethyl]furan?
The InChIKey is HSEVTGPDSDPGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO/c13-12(10-4-5-15-8-10)7-9-2-1-3-11(14)6-9/h1-6,8,12H,7H2.
What are the key properties of 3-[1-bromo-2-(3-fluorophenyl)ethyl]furan?
3-[1-bromo-2-(3-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 3-[1-bromo-2-(3-fluorophenyl)ethyl]furan is sourced from PubChem (CID 63018725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).