5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene

C11H11Br2FO2 — CID 18725526

IUPAC5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene
SMILESCOc1c(C)cc(OCC=C(Br)Br)cc1F
InChIInChI=1S/C11H11Br2FO2/c1-7-5-8(16-4-3-10(12)13)6-9(14)11(7)15-2/h3,5-6H,4H2,1-2H3
InChIKeyZVTYWVDUBKZSOE-UHFFFAOYSA-N
MW354.01 g/mol
LogP4.15
Rot. Bonds4

About 5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene

5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene (PubChem CID 18725526) has the molecular formula C11H11Br2FO2 and a molecular weight of 354.01 g/mol. Its IUPAC name is 5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene.

Molecular Properties

Compound Name5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene
PubChem CID18725526
Molecular FormulaC11H11Br2FO2
Molecular Weight354.01 g/mol
Exact Mass351.91
IUPAC Name5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene
SMILESCOc1c(C)cc(OCC=C(Br)Br)cc1F
InChIInChI=1S/C11H11Br2FO2/c1-7-5-8(16-4-3-10(12)13)6-9(14)11(7)15-2/h3,5-6H,4H2,1-2H3
InChIKeyZVTYWVDUBKZSOE-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.01
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethoxytoluene
CID 90552
Benzene, 1,4-dimethoxy-2-(2-propenyl)-
CID 92534
Allyl o-tolyl ether
CID 136749
3-Ethoxytoluene
CID 69305
Benzene, 1-(2-bromoethoxy)-3-methyl-
CID 1622571
2-Allyl-4-ethoxyphenol
CID 2104078
2-Allyl-4-methoxy-1-propoxybenzene (4c)
CID 24770788
1-Ethoxy-2-methylbenzene
CID 136414
6-Methoxy-2,2-dimethyl-2H-1-benzopyran
CID 11745424
6-Methoxy-2H-1-benzopyran
CID 29052
2-(Bromomethyl)-1,4-dimethoxybenzene
CID 592021
1-(2-Bromoethoxy)-2-methylbenzene
CID 1622572

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene?
The IUPAC name of 5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene (CID 18725526) is 5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene.
What is the SMILES notation for 5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene?
The canonical SMILES for 5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene is COc1c(C)cc(OCC=C(Br)Br)cc1F.
What is the InChIKey of 5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene?
The InChIKey is ZVTYWVDUBKZSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2FO2/c1-7-5-8(16-4-3-10(12)13)6-9(14)11(7)15-2/h3,5-6H,4H2,1-2H3.
What are the key properties of 5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene?
5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene has a molecular weight of 354.01 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dibromoprop-2-enoxy)-1-fluoro-2-methoxy-3-methylbenzene is sourced from PubChem (CID 18725526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).