2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran

C11H6BrClF2O — CID 106689080

IUPAC2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran
SMILESFc1ccc(C(Br)c2ccc(Cl)o2)cc1F
InChIInChI=1S/C11H6BrClF2O/c12-11(9-3-4-10(13)16-9)6-1-2-7(14)8(15)5-6/h1-5,11H
InChIKeyBERLSPFWJVVVFS-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.70
Rot. Bonds2

About 2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran

2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran (PubChem CID 106689080) has the molecular formula C11H6BrClF2O and a molecular weight of 307.52 g/mol. Its IUPAC name is 2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran.

Molecular Properties

Compound Name2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran
PubChem CID106689080
Molecular FormulaC11H6BrClF2O
Molecular Weight307.52 g/mol
Exact Mass305.93
IUPAC Name2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran
SMILESFc1ccc(C(Br)c2ccc(Cl)o2)cc1F
InChIInChI=1S/C11H6BrClF2O/c12-11(9-3-4-10(13)16-9)6-1-2-7(14)8(15)5-6/h1-5,11H
InChIKeyBERLSPFWJVVVFS-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
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-(4-bromophenyl)methyl]-5-chlorofuran
CID 106689046
4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene
CID 55199317
2-bromo-1-[bromo-(3,4-difluorophenyl)methyl]-4-chlorobenzene
CID 114024911
2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran
CID 106689180
2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan
CID 79746986
1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050900
2-[bromo-(4-ethoxyphenyl)methyl]-5-chlorofuran
CID 106689052
2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran
CID 61086501
5-[bromo-(5-chlorofuran-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 106689183
6-[bromo-(3,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61096293
2,3-dibromo-5-[bromo-(3,4-difluorophenyl)methyl]thiophene
CID 80534322
1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106687925

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran?
The IUPAC name of 2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran (CID 106689080) is 2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran.
What is the SMILES notation for 2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran?
The canonical SMILES for 2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran is Fc1ccc(C(Br)c2ccc(Cl)o2)cc1F.
What is the InChIKey of 2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran?
The InChIKey is BERLSPFWJVVVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF2O/c12-11(9-3-4-10(13)16-9)6-1-2-7(14)8(15)5-6/h1-5,11H.
What are the key properties of 2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran?
2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran has a molecular weight of 307.52 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran is sourced from PubChem (CID 106689080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).