1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene

C10H10BrFO — CID 103988445

IUPAC1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene
SMILESC=C(Br)COc1cccc(C)c1F
InChIInChI=1S/C10H10BrFO/c1-7-4-3-5-9(10(7)12)13-6-8(2)11/h3-5H,2,6H2,1H3
InChIKeyAUHGFLFAZBFTFL-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.42
Rot. Bonds3

About 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene

1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene (PubChem CID 103988445) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene
PubChem CID103988445
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene
SMILESC=C(Br)COc1cccc(C)c1F
InChIInChI=1S/C10H10BrFO/c1-7-4-3-5-9(10(7)12)13-6-8(2)11/h3-5H,2,6H2,1H3
InChIKeyAUHGFLFAZBFTFL-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene
CID 103988421
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659479
1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659470
2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol
CID 107662111
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434
2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 107659414
ethyl 4-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-3-oxobutanoate
CID 107659444
2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
CID 107660407
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene?
The IUPAC name of 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene (CID 103988445) is 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene is C=C(Br)COc1cccc(C)c1F.
What is the InChIKey of 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene?
The InChIKey is AUHGFLFAZBFTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-7-4-3-5-9(10(7)12)13-6-8(2)11/h3-5H,2,6H2,1H3.
What are the key properties of 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene?
1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene has a molecular weight of 245.09 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene is sourced from PubChem (CID 103988445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).