2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan

C11H6BrClF2O — CID 106855486

IUPAC2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan
SMILESFc1ccc(C(Cl)c2ccoc2Br)c(F)c1
InChIInChI=1S/C11H6BrClF2O/c12-11-8(3-4-16-11)10(13)7-2-1-6(14)5-9(7)15/h1-5,10H
InChIKeyFZAQFGKJHGOCTI-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.65
Rot. Bonds2

About 2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan

2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan (PubChem CID 106855486) has the molecular formula C11H6BrClF2O and a molecular weight of 307.52 g/mol. Its IUPAC name is 2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan
PubChem CID106855486
Molecular FormulaC11H6BrClF2O
Molecular Weight307.52 g/mol
Exact Mass305.93
IUPAC Name2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan
SMILESFc1ccc(C(Cl)c2ccoc2Br)c(F)c1
InChIInChI=1S/C11H6BrClF2O/c12-11-8(3-4-16-11)10(13)7-2-1-6(14)5-9(7)15/h1-5,10H
InChIKeyFZAQFGKJHGOCTI-UHFFFAOYSA-N
XLogP4.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.65
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

1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
CID 106855501
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433476
1-bromo-2-[chloro-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63433650
1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene
CID 107955921
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 106859200
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495
3-[chloro-(2,4-difluorophenyl)methyl]-2,5-dimethylfuran
CID 61084571
1-[(3-bromophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433564
1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 106857490
[(2-bromofuran-3-yl)-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 106860290

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan?
The IUPAC name of 2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan (CID 106855486) is 2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan.
What is the SMILES notation for 2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan?
The canonical SMILES for 2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan is Fc1ccc(C(Cl)c2ccoc2Br)c(F)c1.
What is the InChIKey of 2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan?
The InChIKey is FZAQFGKJHGOCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF2O/c12-11-8(3-4-16-11)10(13)7-2-1-6(14)5-9(7)15/h1-5,10H.
What are the key properties of 2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan?
2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan has a molecular weight of 307.52 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan is sourced from PubChem (CID 106855486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).