5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene

C12H13Br2FO2 — CID 18725525

IUPAC5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene
SMILESCCc1cc(OCC=C(Br)Br)cc(F)c1OC
InChIInChI=1S/C12H13Br2FO2/c1-3-8-6-9(17-5-4-11(13)14)7-10(15)12(8)16-2/h4,6-7H,3,5H2,1-2H3
InChIKeyUPBAOTZQYACRPF-UHFFFAOYSA-N
MW368.04 g/mol
LogP4.41
Rot. Bonds5

About 5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene

5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene (PubChem CID 18725525) has the molecular formula C12H13Br2FO2 and a molecular weight of 368.04 g/mol. Its IUPAC name is 5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene
PubChem CID18725525
Molecular FormulaC12H13Br2FO2
Molecular Weight368.04 g/mol
Exact Mass365.93
IUPAC Name5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene
SMILESCCc1cc(OCC=C(Br)Br)cc(F)c1OC
InChIInChI=1S/C12H13Br2FO2/c1-3-8-6-9(17-5-4-11(13)14)7-10(15)12(8)16-2/h4,6-7H,3,5H2,1-2H3
InChIKeyUPBAOTZQYACRPF-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.04
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90552
Benzene, 1,4-dimethoxy-2-(2-propenyl)-
CID 92534
Benzene, 1-(2-bromoethoxy)-3-methyl-
CID 1622571
2-Allyl-4-ethoxyphenol
CID 2104078
2-Allyl-4-methoxy-1-propoxybenzene (4c)
CID 24770788
6-Methoxy-2,2-dimethyl-2H-1-benzopyran
CID 11745424
6-Methoxy-2H-1-benzopyran
CID 29052
Benzene, 1,4-dimethoxy-2,3-dimethyl-
CID 148299
2-(Bromomethyl)-1,4-dimethoxybenzene
CID 592021
1-(2-Bromoethoxy)-2-methylbenzene
CID 1622572
2,5-Bis(bromomethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene
CID 3645197
1,4-Bis(bromomethyl)-2,5-dimethoxybenzene
CID 4119143

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene?
The IUPAC name of 5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene (CID 18725525) is 5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene.
What is the SMILES notation for 5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene?
The canonical SMILES for 5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene is CCc1cc(OCC=C(Br)Br)cc(F)c1OC.
What is the InChIKey of 5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene?
The InChIKey is UPBAOTZQYACRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2FO2/c1-3-8-6-9(17-5-4-11(13)14)7-10(15)12(8)16-2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene?
5-(3,3-dibromoprop-2-enoxy)-1-ethyl-3-fluoro-2-methoxybenzene has a molecular weight of 368.04 g/mol, XLogP of 4.41, 5 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-ethyl-3-fluoro-2-methoxybenzene is sourced from PubChem (CID 18725525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).