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

C15H12BrClF2 — CID 106273769

IUPAC1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene
SMILESFc1ccc(Br)c(F)c1CC(CCl)c1ccccc1
InChIInChI=1S/C15H12BrClF2/c16-13-6-7-14(18)12(15(13)19)8-11(9-17)10-4-2-1-3-5-10/h1-7,11H,8-9H2
InChIKeyHGWJPUHRDFZHRZ-UHFFFAOYSA-N
MW345.61 g/mol
LogP5.29
Rot. Bonds4

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

1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene (PubChem CID 106273769) has the molecular formula C15H12BrClF2 and a molecular weight of 345.61 g/mol. Its IUPAC name is 1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene
PubChem CID106273769
Molecular FormulaC15H12BrClF2
Molecular Weight345.61 g/mol
Exact Mass343.98
IUPAC Name1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene
SMILESFc1ccc(Br)c(F)c1CC(CCl)c1ccccc1
InChIInChI=1S/C15H12BrClF2/c16-13-6-7-14(18)12(15(13)19)8-11(9-17)10-4-2-1-3-5-10/h1-7,11H,8-9H2
InChIKeyHGWJPUHRDFZHRZ-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.61
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 106273846
1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
CID 106273849
1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
CID 106273850
3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106943910
3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 106271721
3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 106271749
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
3-(3-bromo-2,6-difluorophenyl)-2-(4-bromophenyl)-N-methylpropan-1-amine
CID 106271674
1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene
CID 66033899
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine
CID 106263465
1-bromo-3-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-2,4-difluorobenzene
CID 106273782

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene?
The IUPAC name of 1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene (CID 106273769) is 1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene?
The canonical SMILES for 1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene is Fc1ccc(Br)c(F)c1CC(CCl)c1ccccc1.
What is the InChIKey of 1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene?
The InChIKey is HGWJPUHRDFZHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2/c16-13-6-7-14(18)12(15(13)19)8-11(9-17)10-4-2-1-3-5-10/h1-7,11H,8-9H2.
What are the key properties of 1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene?
1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene has a molecular weight of 345.61 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene is sourced from PubChem (CID 106273769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).