2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene

C16H14Br2ClFO — CID 174604405

IUPAC2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene
SMILESCC(Br)c1cc(F)ccc1Oc1ccc(Cl)cc1C(C)Br
InChIInChI=1S/C16H14Br2ClFO/c1-9(17)13-7-11(19)3-5-15(13)21-16-6-4-12(20)8-14(16)10(2)18/h3-10H,1-2H3
InChIKeyOUDNVPHPVSEDIL-UHFFFAOYSA-N
MW436.55 g/mol
LogP7.18
Rot. Bonds4

About 2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene

2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene (PubChem CID 174604405) has the molecular formula C16H14Br2ClFO and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene.

Molecular Properties

Compound Name2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene
PubChem CID174604405
Molecular FormulaC16H14Br2ClFO
Molecular Weight436.55 g/mol
Exact Mass433.91
IUPAC Name2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene
SMILESCC(Br)c1cc(F)ccc1Oc1ccc(Cl)cc1C(C)Br
InChIInChI=1S/C16H14Br2ClFO/c1-9(17)13-7-11(19)3-5-15(13)21-16-6-4-12(20)8-14(16)10(2)18/h3-10H,1-2H3
InChIKeyOUDNVPHPVSEDIL-UHFFFAOYSA-N
XLogP7.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 57.18
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-(2-Bromoethoxy)-4-chloro-2-methylbenzene
CID 24707923
6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene
CID 56655958
6-chloro-2-phenyl-2H-chromene
CID 11402251
2-(Bromomethyl)-4-chloro-1-methoxybenzene
CID 15462812
(3Z)-3-benzylidene-6-chloro-4H-chromene
CID 45270658
3-benzyl-6-chloro-2H-chromene
CID 45273259
6-chloro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2H-chromene
CID 52945644
(3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene
CID 57397605
6-chloro-3-phenyl-2H-chromene
CID 500461
3-(4-bromophenyl)-6-chloro-2H-chromene
CID 3009217
4-(4-Fluorobenzyloxy)chlorobenzene
CID 2090063
Benzene, 2-(bromomethyl)-4-chloro-1-(difluoromethoxy)-
CID 3406151

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene?
The IUPAC name of 2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene (CID 174604405) is 2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene.
What is the SMILES notation for 2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene?
The canonical SMILES for 2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene is CC(Br)c1cc(F)ccc1Oc1ccc(Cl)cc1C(C)Br.
What is the InChIKey of 2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene?
The InChIKey is OUDNVPHPVSEDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2ClFO/c1-9(17)13-7-11(19)3-5-15(13)21-16-6-4-12(20)8-14(16)10(2)18/h3-10H,1-2H3.
What are the key properties of 2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene?
2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene has a molecular weight of 436.55 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-1-[2-(1-bromoethyl)-4-chlorophenoxy]-4-fluorobenzene is sourced from PubChem (CID 174604405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).