2-(bromomethyl)-4-fluoro-1-phenylbenzene

C13H10BrF — CID 59789301

IUPAC2-(bromomethyl)-4-fluoro-1-phenylbenzene
SMILESFc1ccc(-c2ccccc2)c(CBr)c1
InChIInChI=1S/C13H10BrF/c14-9-11-8-12(15)6-7-13(11)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyCRMWSVLMHDMHPR-UHFFFAOYSA-N
MW265.12 g/mol
LogP4.39
Rot. Bonds2

About 2-(bromomethyl)-4-fluoro-1-phenylbenzene

2-(bromomethyl)-4-fluoro-1-phenylbenzene (PubChem CID 59789301) has the molecular formula C13H10BrF and a molecular weight of 265.12 g/mol. Its IUPAC name is 2-(bromomethyl)-4-fluoro-1-phenylbenzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-fluoro-1-phenylbenzene
PubChem CID59789301
Molecular FormulaC13H10BrF
Molecular Weight265.12 g/mol
Exact Mass263.99
IUPAC Name2-(bromomethyl)-4-fluoro-1-phenylbenzene
SMILESFc1ccc(-c2ccccc2)c(CBr)c1
InChIInChI=1S/C13H10BrF/c14-9-11-8-12(15)6-7-13(11)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyCRMWSVLMHDMHPR-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-fluoro-1-phenylbenzene?
The IUPAC name of 2-(bromomethyl)-4-fluoro-1-phenylbenzene (CID 59789301) is 2-(bromomethyl)-4-fluoro-1-phenylbenzene.
What is the SMILES notation for 2-(bromomethyl)-4-fluoro-1-phenylbenzene?
The canonical SMILES for 2-(bromomethyl)-4-fluoro-1-phenylbenzene is Fc1ccc(-c2ccccc2)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4-fluoro-1-phenylbenzene?
The InChIKey is CRMWSVLMHDMHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF/c14-9-11-8-12(15)6-7-13(11)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-(bromomethyl)-4-fluoro-1-phenylbenzene?
2-(bromomethyl)-4-fluoro-1-phenylbenzene has a molecular weight of 265.12 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-fluoro-1-phenylbenzene is sourced from PubChem (CID 59789301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).