2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene

C15H13BrF2 — CID 55192833

IUPAC2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene
SMILESFc1ccc(F)c(CCC(Br)c2ccccc2)c1
InChIInChI=1S/C15H13BrF2/c16-14(11-4-2-1-3-5-11)8-6-12-10-13(17)7-9-15(12)18/h1-5,7,9-10,14H,6,8H2
InChIKeyUJGOFRJJTFGSGX-UHFFFAOYSA-N
MW311.17 g/mol
LogP5.03
Rot. Bonds4

About 2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene

2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene (PubChem CID 55192833) has the molecular formula C15H13BrF2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene.

Molecular Properties

Compound Name2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene
PubChem CID55192833
Molecular FormulaC15H13BrF2
Molecular Weight311.17 g/mol
Exact Mass310.02
IUPAC Name2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene
SMILESFc1ccc(F)c(CCC(Br)c2ccccc2)c1
InChIInChI=1S/C15H13BrF2/c16-14(11-4-2-1-3-5-11)8-6-12-10-13(17)7-9-15(12)18/h1-5,7,9-10,14H,6,8H2
InChIKeyUJGOFRJJTFGSGX-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.17
LogP ≤ 55.03
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-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene
CID 103049485
1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
CID 55192636
1-(4-bromo-4-phenylbutyl)-4-chloro-2-fluorobenzene
CID 114860167
1-(3-bromo-3-phenylpropyl)-4-chlorobenzene
CID 63472364
4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine
CID 117046746
2-(3-bromo-3-phenylpropyl)-1-fluoro-3,5-dimethylbenzene
CID 106882583
2-(4-bromo-5-methylhexyl)-1,4-difluorobenzene
CID 64509441
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756862
4-(5-chloro-2-fluorophenyl)-2-phenylbutan-1-amine
CID 103051753
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
1-(2,5-difluorophenyl)-3-phenylbutan-2-ol
CID 63901819

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene?
The IUPAC name of 2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene (CID 55192833) is 2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene.
What is the SMILES notation for 2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene?
The canonical SMILES for 2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene is Fc1ccc(F)c(CCC(Br)c2ccccc2)c1.
What is the InChIKey of 2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene?
The InChIKey is UJGOFRJJTFGSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2/c16-14(11-4-2-1-3-5-11)8-6-12-10-13(17)7-9-15(12)18/h1-5,7,9-10,14H,6,8H2.
What are the key properties of 2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene?
2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene has a molecular weight of 311.17 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene is sourced from PubChem (CID 55192833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).