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

C15H12BrF3 — CID 79454466

IUPAC1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene
SMILESFc1ccc(CC(CBr)c2ccccc2F)c(F)c1
InChIInChI=1S/C15H12BrF3/c16-9-11(13-3-1-2-4-14(13)18)7-10-5-6-12(17)8-15(10)19/h1-6,8,11H,7,9H2
InChIKeyRSOHLRGEHIQDEM-UHFFFAOYSA-N
MW329.16 g/mol
LogP4.83
Rot. Bonds4

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

1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene (PubChem CID 79454466) has the molecular formula C15H12BrF3 and a molecular weight of 329.16 g/mol. Its IUPAC name is 1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene
PubChem CID79454466
Molecular FormulaC15H12BrF3
Molecular Weight329.16 g/mol
Exact Mass328.01
IUPAC Name1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene
SMILESFc1ccc(CC(CBr)c2ccccc2F)c(F)c1
InChIInChI=1S/C15H12BrF3/c16-9-11(13-3-1-2-4-14(13)18)7-10-5-6-12(17)8-15(10)19/h1-6,8,11H,7,9H2
InChIKeyRSOHLRGEHIQDEM-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 54.83
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

4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541
1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
CID 79454615
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
[2-(2,4-difluorophenyl)-1-(2-fluorophenyl)ethyl]hydrazine
CID 105216921
2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene
CID 79454612
3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421165
2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843
1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene
CID 79454075
3-(2,4-difluorophenyl)-2-phenylpropan-1-ol
CID 66059206
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
CID 79455155
4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454073
2-bromo-3-(2,4-difluorophenyl)propanamide
CID 104512951

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene?
The IUPAC name of 1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene (CID 79454466) is 1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene is Fc1ccc(CC(CBr)c2ccccc2F)c(F)c1.
What is the InChIKey of 1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene?
The InChIKey is RSOHLRGEHIQDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3/c16-9-11(13-3-1-2-4-14(13)18)7-10-5-6-12(17)8-15(10)19/h1-6,8,11H,7,9H2.
What are the key properties of 1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene?
1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene has a molecular weight of 329.16 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene is sourced from PubChem (CID 79454466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).