1-bromo-2-[fluoro(phenyl)methyl]benzene

C13H10BrF — CID 71380558

IUPAC1-bromo-2-[fluoro(phenyl)methyl]benzene
SMILESFC(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C13H10BrF/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13H
InChIKeyLPNHKLSXGQFZGG-UHFFFAOYSA-N
MW265.12 g/mol
LogP4.51
Rot. Bonds2

About 1-bromo-2-[fluoro(phenyl)methyl]benzene

1-bromo-2-[fluoro(phenyl)methyl]benzene (PubChem CID 71380558) has the molecular formula C13H10BrF and a molecular weight of 265.12 g/mol. Its IUPAC name is 1-bromo-2-[fluoro(phenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[fluoro(phenyl)methyl]benzene
PubChem CID71380558
Molecular FormulaC13H10BrF
Molecular Weight265.12 g/mol
Exact Mass263.99
IUPAC Name1-bromo-2-[fluoro(phenyl)methyl]benzene
SMILESFC(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C13H10BrF/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13H
InChIKeyLPNHKLSXGQFZGG-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-2-[fluoro(phenyl)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
[(R)-(2-bromophenyl)-phenylmethyl]hydrazine
CID 124596311
(2-bromophenyl)methanediamine
CID 22286781
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine
CID 81379499
3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine
CID 169224852
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383697
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383104
[fluoro(fluoro)methyl]benzene
CID 146164458
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
1,2-dibromo-3-(difluoromethyl)benzene
CID 46311693
1-(2-bromophenyl)ethanethiol
CID 43124084

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[fluoro(phenyl)methyl]benzene?
The IUPAC name of 1-bromo-2-[fluoro(phenyl)methyl]benzene (CID 71380558) is 1-bromo-2-[fluoro(phenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-2-[fluoro(phenyl)methyl]benzene?
The canonical SMILES for 1-bromo-2-[fluoro(phenyl)methyl]benzene is FC(c1ccccc1)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-[fluoro(phenyl)methyl]benzene?
The InChIKey is LPNHKLSXGQFZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13H.
What are the key properties of 1-bromo-2-[fluoro(phenyl)methyl]benzene?
1-bromo-2-[fluoro(phenyl)methyl]benzene has a molecular weight of 265.12 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[fluoro(phenyl)methyl]benzene is sourced from PubChem (CID 71380558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).