2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene

C13H8BrF3 — CID 61086298

IUPAC2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene
SMILESFc1ccc(C(Br)c2c(F)cccc2F)cc1
InChIInChI=1S/C13H8BrF3/c14-13(8-4-6-9(15)7-5-8)12-10(16)2-1-3-11(12)17/h1-7,13H
InChIKeyRHDMZCXWECKTNM-UHFFFAOYSA-N
MW301.11 g/mol
LogP4.59
Rot. Bonds2

About 2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene

2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene (PubChem CID 61086298) has the molecular formula C13H8BrF3 and a molecular weight of 301.11 g/mol. Its IUPAC name is 2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene
PubChem CID61086298
Molecular FormulaC13H8BrF3
Molecular Weight301.11 g/mol
Exact Mass299.98
IUPAC Name2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene
SMILESFc1ccc(C(Br)c2c(F)cccc2F)cc1
InChIInChI=1S/C13H8BrF3/c14-13(8-4-6-9(15)7-5-8)12-10(16)2-1-3-11(12)17/h1-7,13H
InChIKeyRHDMZCXWECKTNM-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.11
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo-(4-propan-2-yloxyphenyl)methyl]-1,3-difluorobenzene
CID 63441575
2-[bromo-(4-propan-2-ylphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65432906
2-[bromo-(4-propan-2-yloxyphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65431941
2-[bromo-(4-butan-2-ylphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65433869
2-[bromo-(4-iodophenyl)methyl]-1,3,5-trifluorobenzene
CID 63438762
2-[bromo-(4-ethylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 55199917
1-bromo-2-[bromo-(4-butan-2-ylphenyl)methyl]-3-fluorobenzene
CID 114560623
N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43201964
2-[bromo-(4-butan-2-ylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 63438382
2-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 79747491
5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 114560636
2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63436939

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene?
The IUPAC name of 2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene (CID 61086298) is 2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene.
What is the SMILES notation for 2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene?
The canonical SMILES for 2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene is Fc1ccc(C(Br)c2c(F)cccc2F)cc1.
What is the InChIKey of 2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene?
The InChIKey is RHDMZCXWECKTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3/c14-13(8-4-6-9(15)7-5-8)12-10(16)2-1-3-11(12)17/h1-7,13H.
What are the key properties of 2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene?
2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene has a molecular weight of 301.11 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-fluorophenyl)methyl]-1,3-difluorobenzene is sourced from PubChem (CID 61086298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).