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

C15H12BrClF2 — CID 79435343

IUPAC1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene
SMILESFc1cccc(CC(CBr)c2ccc(Cl)cc2)c1F
InChIInChI=1S/C15H12BrClF2/c16-9-12(10-4-6-13(17)7-5-10)8-11-2-1-3-14(18)15(11)19/h1-7,12H,8-9H2
InChIKeyJNQFYCSFCQYQKF-UHFFFAOYSA-N
MW345.61 g/mol
LogP5.34
Rot. Bonds4

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

1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene (PubChem CID 79435343) has the molecular formula C15H12BrClF2 and a molecular weight of 345.61 g/mol. Its IUPAC name is 1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene
PubChem CID79435343
Molecular FormulaC15H12BrClF2
Molecular Weight345.61 g/mol
Exact Mass343.98
IUPAC Name1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene
SMILESFc1cccc(CC(CBr)c2ccc(Cl)cc2)c1F
InChIInChI=1S/C15H12BrClF2/c16-9-12(10-4-6-13(17)7-5-10)8-11-2-1-3-14(18)15(11)19/h1-7,12H,8-9H2
InChIKeyJNQFYCSFCQYQKF-UHFFFAOYSA-N
XLogP5.34
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 ≤ 55.34
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-(4-bromophenyl)propyl]-2-chloro-3-fluorobenzene
CID 112654920
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
2-[3-bromo-2-(4-chlorophenyl)propyl]-1-chloro-3-fluorobenzene
CID 79435659
1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene
CID 79433637
1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862057
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
CID 66043262
1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene
CID 66033899
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435232
1-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2,3-difluorobenzene
CID 66042525
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
1-(4-chlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 62601232
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene?
The IUPAC name of 1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene (CID 79435343) is 1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene is Fc1cccc(CC(CBr)c2ccc(Cl)cc2)c1F.
What is the InChIKey of 1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene?
The InChIKey is JNQFYCSFCQYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2/c16-9-12(10-4-6-13(17)7-5-10)8-11-2-1-3-14(18)15(11)19/h1-7,12H,8-9H2.
What are the key properties of 1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene?
1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene has a molecular weight of 345.61 g/mol, XLogP of 5.34, 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-(4-chlorophenyl)propyl]-2,3-difluorobenzene is sourced from PubChem (CID 79435343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).