2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan

C12H8Br2F2O — CID 106856036

IUPAC2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan
SMILESFc1cccc(CC(Br)c2ccoc2Br)c1F
InChIInChI=1S/C12H8Br2F2O/c13-9(8-4-5-17-12(8)14)6-7-2-1-3-10(15)11(7)16/h1-5,9H,6H2
InChIKeyJRLBVFCFTGPAID-UHFFFAOYSA-N
MW366.00 g/mol
LogP5.00
Rot. Bonds3

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

2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan (PubChem CID 106856036) has the molecular formula C12H8Br2F2O and a molecular weight of 366.00 g/mol. Its IUPAC name is 2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan.

Molecular Properties

Compound Name2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan
PubChem CID106856036
Molecular FormulaC12H8Br2F2O
Molecular Weight366.00 g/mol
Exact Mass363.89
IUPAC Name2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan
SMILESFc1cccc(CC(Br)c2ccoc2Br)c1F
InChIInChI=1S/C12H8Br2F2O/c13-9(8-4-5-17-12(8)14)6-7-2-1-3-10(15)11(7)16/h1-5,9H,6H2
InChIKeyJRLBVFCFTGPAID-UHFFFAOYSA-N
XLogP5.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.00
LogP ≤ 55.00
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-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan
CID 106856014
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 106854724
N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725
1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 106687910
2-[1-bromo-2-(2-fluorophenyl)ethyl]furan
CID 63017056
2,3-dibromo-5-[1-bromo-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534309
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
CID 106858311
N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 106858502
2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene
CID 55224470
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
2-[1-bromo-2-(2,3-difluorophenyl)ethyl]-3,5-dimethylthiophene
CID 81158192

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan?
The IUPAC name of 2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan (CID 106856036) is 2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan.
What is the SMILES notation for 2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan?
The canonical SMILES for 2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan is Fc1cccc(CC(Br)c2ccoc2Br)c1F.
What is the InChIKey of 2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan?
The InChIKey is JRLBVFCFTGPAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2F2O/c13-9(8-4-5-17-12(8)14)6-7-2-1-3-10(15)11(7)16/h1-5,9H,6H2.
What are the key properties of 2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan?
2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan has a molecular weight of 366.00 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan is sourced from PubChem (CID 106856036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).