1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene

C16H15BrClFO — CID 114772847

IUPAC1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene
SMILESCC(CBr)(OCc1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C16H15BrClFO/c1-16(11-17,13-7-3-5-9-15(13)19)20-10-12-6-2-4-8-14(12)18/h2-9H,10-11H2,1H3
InChIKeyICXKMGGURUYZRW-UHFFFAOYSA-N
MW357.65 g/mol
LogP5.31
Rot. Bonds5

About 1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene

1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene (PubChem CID 114772847) has the molecular formula C16H15BrClFO and a molecular weight of 357.65 g/mol. Its IUPAC name is 1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene
PubChem CID114772847
Molecular FormulaC16H15BrClFO
Molecular Weight357.65 g/mol
Exact Mass356.00
IUPAC Name1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene
SMILESCC(CBr)(OCc1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C16H15BrClFO/c1-16(11-17,13-7-3-5-9-15(13)19)20-10-12-6-2-4-8-14(12)18/h2-9H,10-11H2,1H3
InChIKeyICXKMGGURUYZRW-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.65
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-bromo-2-(2,2,2-trifluoroethoxy)propan-2-yl]-2-fluorobenzene
CID 114773899
1-[1-bromo-2-(3,3-dimethylbutoxy)propan-2-yl]-2-fluorobenzene
CID 114774513
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
CID 79452940
1-bromo-2-[2-[(2-fluorophenyl)methoxy]-1-iodopropan-2-yl]benzene
CID 114774177
1-chloro-2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]benzene
CID 114772854
1-(1-bromo-2-fluoropropan-2-yl)-2-chlorobenzene
CID 53402375
1-(1-bromo-2-octan-2-yloxypropan-2-yl)-2-fluorobenzene
CID 114773470
1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 107307633
1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996407
1-[(2-chlorophenyl)methoxy]-3-(2-fluoroanilino)propan-2-ol
CID 60896667
1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
CID 79456158

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene?
The IUPAC name of 1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene (CID 114772847) is 1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene.
What is the SMILES notation for 1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene?
The canonical SMILES for 1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene is CC(CBr)(OCc1ccccc1Cl)c1ccccc1F.
What is the InChIKey of 1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene?
The InChIKey is ICXKMGGURUYZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFO/c1-16(11-17,13-7-3-5-9-15(13)19)20-10-12-6-2-4-8-14(12)18/h2-9H,10-11H2,1H3.
What are the key properties of 1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene?
1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene has a molecular weight of 357.65 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene is sourced from PubChem (CID 114772847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).