2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene

C9H6BrCl2FO — CID 79168336

IUPAC2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene
SMILESFc1ccc(OCC(Cl)=CCl)c(Br)c1
InChIInChI=1S/C9H6BrCl2FO/c10-8-3-7(13)1-2-9(8)14-5-6(12)4-11/h1-4H,5H2
InChIKeyYDEDMSWCENOIQA-UHFFFAOYSA-N
MW299.95 g/mol
LogP4.29
Rot. Bonds3

About 2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene

2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene (PubChem CID 79168336) has the molecular formula C9H6BrCl2FO and a molecular weight of 299.95 g/mol. Its IUPAC name is 2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene
PubChem CID79168336
Molecular FormulaC9H6BrCl2FO
Molecular Weight299.95 g/mol
Exact Mass297.90
IUPAC Name2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene
SMILESFc1ccc(OCC(Cl)=CCl)c(Br)c1
InChIInChI=1S/C9H6BrCl2FO/c10-8-3-7(13)1-2-9(8)14-5-6(12)4-11/h1-4H,5H2
InChIKeyYDEDMSWCENOIQA-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.95
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene
CID 79167187
1-(2-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62031562
2-(2-bromo-4-fluorophenoxy)-N'-hydroxyethanimidamide
CID 24705176
5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid
CID 107729528
2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene
CID 29278100
2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765407
2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656484
2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
CID 79173807
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-(2-bromo-4-fluorophenoxy)ethanamine
CID 22688771
1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene
CID 79173704
2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60653739

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene?
The IUPAC name of 2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene (CID 79168336) is 2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene is Fc1ccc(OCC(Cl)=CCl)c(Br)c1.
What is the InChIKey of 2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene?
The InChIKey is YDEDMSWCENOIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl2FO/c10-8-3-7(13)1-2-9(8)14-5-6(12)4-11/h1-4H,5H2.
What are the key properties of 2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene?
2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene has a molecular weight of 299.95 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene is sourced from PubChem (CID 79168336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).