2-[bromo-(2,4,5-trifluorophenyl)methyl]furan

C11H6BrF3O — CID 103304265

IUPAC2-[bromo-(2,4,5-trifluorophenyl)methyl]furan
SMILESFc1cc(F)c(C(Br)c2ccco2)cc1F
InChIInChI=1S/C11H6BrF3O/c12-11(10-2-1-3-16-10)6-4-8(14)9(15)5-7(6)13/h1-5,11H
InChIKeyCFNRKOHBSSYEKZ-UHFFFAOYSA-N
MW291.07 g/mol
LogP4.18
Rot. Bonds2

About 2-[bromo-(2,4,5-trifluorophenyl)methyl]furan

2-[bromo-(2,4,5-trifluorophenyl)methyl]furan (PubChem CID 103304265) has the molecular formula C11H6BrF3O and a molecular weight of 291.07 g/mol. Its IUPAC name is 2-[bromo-(2,4,5-trifluorophenyl)methyl]furan.

Molecular Properties

Compound Name2-[bromo-(2,4,5-trifluorophenyl)methyl]furan
PubChem CID103304265
Molecular FormulaC11H6BrF3O
Molecular Weight291.07 g/mol
Exact Mass289.96
IUPAC Name2-[bromo-(2,4,5-trifluorophenyl)methyl]furan
SMILESFc1cc(F)c(C(Br)c2ccco2)cc1F
InChIInChI=1S/C11H6BrF3O/c12-11(10-2-1-3-16-10)6-4-8(14)9(15)5-7(6)13/h1-5,11H
InChIKeyCFNRKOHBSSYEKZ-UHFFFAOYSA-N
XLogP4.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

furan-2-yl-(2,4,5-trifluorophenyl)methanamine
CID 103301909
2-[bromo-(2,4,6-trifluorophenyl)methyl]furan
CID 61097897
1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302337
2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan
CID 61098751
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan
CID 61096008
1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304158
(1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81403834
1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 82783225
1-[bromo-(5-bromo-2-chlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304119
3-[bromo-(2,4,5-trifluorophenyl)methyl]-2,4,5-trimethylfuran
CID 103304126
5-bromo-6-[bromo(furan-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62352206

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,4,5-trifluorophenyl)methyl]furan?
The IUPAC name of 2-[bromo-(2,4,5-trifluorophenyl)methyl]furan (CID 103304265) is 2-[bromo-(2,4,5-trifluorophenyl)methyl]furan.
What is the SMILES notation for 2-[bromo-(2,4,5-trifluorophenyl)methyl]furan?
The canonical SMILES for 2-[bromo-(2,4,5-trifluorophenyl)methyl]furan is Fc1cc(F)c(C(Br)c2ccco2)cc1F.
What is the InChIKey of 2-[bromo-(2,4,5-trifluorophenyl)methyl]furan?
The InChIKey is CFNRKOHBSSYEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3O/c12-11(10-2-1-3-16-10)6-4-8(14)9(15)5-7(6)13/h1-5,11H.
What are the key properties of 2-[bromo-(2,4,5-trifluorophenyl)methyl]furan?
2-[bromo-(2,4,5-trifluorophenyl)methyl]furan has a molecular weight of 291.07 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,4,5-trifluorophenyl)methyl]furan is sourced from PubChem (CID 103304265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).