1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene

C13H9BrF2 — CID 22565374

IUPAC1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
SMILESFc1ccccc1C(Br)c1ccccc1F
InChIInChI=1S/C13H9BrF2/c14-13(9-5-1-3-7-11(9)15)10-6-2-4-8-12(10)16/h1-8,13H
InChIKeyMCOBSYCVQPNBQA-UHFFFAOYSA-N
MW283.12 g/mol
LogP4.45
Rot. Bonds2

About 1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene

1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene (PubChem CID 22565374) has the molecular formula C13H9BrF2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
PubChem CID22565374
Molecular FormulaC13H9BrF2
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
SMILESFc1ccccc1C(Br)c1ccccc1F
InChIInChI=1S/C13H9BrF2/c14-13(9-5-1-3-7-11(9)15)10-6-2-4-8-12(10)16/h1-8,13H
InChIKeyMCOBSYCVQPNBQA-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 54.45
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-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene
CID 63443769
1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 63444828
1-bromo-4-[bromo-(2-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057401
2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene
CID 80534470
7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
CID 81147103
bis(2-fluorophenyl)methanol
CID 18424663
1-[bromo(cyclopropyl)methyl]-2-fluorobenzene
CID 174663726
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731627
(1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol
CID 11044629
2-[bromo-(2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 61096891
(1S)-2-bromo-1-(2-fluorophenyl)ethanol
CID 24862084

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene (CID 22565374) is 1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene is Fc1ccccc1C(Br)c1ccccc1F.
What is the InChIKey of 1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene?
The InChIKey is MCOBSYCVQPNBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2/c14-13(9-5-1-3-7-11(9)15)10-6-2-4-8-12(10)16/h1-8,13H.
What are the key properties of 1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene?
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene has a molecular weight of 283.12 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 22565374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).