1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene

C15H13BrF2 — CID 79454615

IUPAC1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
SMILESFc1ccccc1CC(CBr)c1ccccc1F
InChIInChI=1S/C15H13BrF2/c16-10-12(13-6-2-4-8-15(13)18)9-11-5-1-3-7-14(11)17/h1-8,12H,9-10H2
InChIKeyWRBMXAGPWOTEQM-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.69
Rot. Bonds4

About 1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene

1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene (PubChem CID 79454615) has the molecular formula C15H13BrF2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
PubChem CID79454615
Molecular FormulaC15H13BrF2
Molecular Weight311.17 g/mol
Exact Mass310.02
IUPAC Name1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
SMILESFc1ccccc1CC(CBr)c1ccccc1F
InChIInChI=1S/C15H13BrF2/c16-10-12(13-6-2-4-8-15(13)18)9-11-5-1-3-7-14(11)17/h1-8,12H,9-10H2
InChIKeyWRBMXAGPWOTEQM-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.69
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

1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene
CID 79454466
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
CID 66043262
2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
CID 79455155
1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene
CID 79454075
4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454073
2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine
CID 79449387
3-[3-bromo-2-(2-fluorophenyl)propyl]-1-methylpyrazole
CID 82871989
5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 79454542
1-[2-(bromomethyl)butyl]-2-fluorobenzene
CID 66041853

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene?
The IUPAC name of 1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene (CID 79454615) is 1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene.
What is the SMILES notation for 1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene?
The canonical SMILES for 1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene is Fc1ccccc1CC(CBr)c1ccccc1F.
What is the InChIKey of 1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene?
The InChIKey is WRBMXAGPWOTEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2/c16-10-12(13-6-2-4-8-15(13)18)9-11-5-1-3-7-14(11)17/h1-8,12H,9-10H2.
What are the key properties of 1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene?
1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene has a molecular weight of 311.17 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene is sourced from PubChem (CID 79454615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).