1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one

C10H10BrFO2 — CID 134615503

IUPAC1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one
SMILESCC(=O)Cc1c(Br)cccc1OCF
InChIInChI=1S/C10H10BrFO2/c1-7(13)5-8-9(11)3-2-4-10(8)14-6-12/h2-4H,5-6H2,1H3
InChIKeyPEOPUTRSMFHTJO-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.89
Rot. Bonds4

About 1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one

1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one (PubChem CID 134615503) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one
PubChem CID134615503
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one
SMILESCC(=O)Cc1c(Br)cccc1OCF
InChIInChI=1S/C10H10BrFO2/c1-7(13)5-8-9(11)3-2-4-10(8)14-6-12/h2-4H,5-6H2,1H3
InChIKeyPEOPUTRSMFHTJO-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one
CID 117450989
1-[2-bromo-6-(chloromethyl)phenyl]propan-2-one
CID 118821090
1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one
CID 117114995
1-[3-bromo-2-(chloromethyl)phenyl]propan-2-one
CID 131050773
2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid
CID 83903987
1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
CID 84666859
1-(3-bromo-2-methylphenyl)propan-2-one
CID 83709858
1-[2-bromo-6-(trifluoromethoxy)phenyl]-3-chloropropan-2-one
CID 134615507
1-[2-(difluoromethoxy)-6-sulfanylphenyl]propan-2-one
CID 118830051
1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one
CID 118835704
1-(2-fluoro-6-methylphenyl)propan-2-one
CID 84765067
1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one
CID 118818764

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one?
The IUPAC name of 1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one (CID 134615503) is 1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one?
The canonical SMILES for 1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one is CC(=O)Cc1c(Br)cccc1OCF.
What is the InChIKey of 1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one?
The InChIKey is PEOPUTRSMFHTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-7(13)5-8-9(11)3-2-4-10(8)14-6-12/h2-4H,5-6H2,1H3.
What are the key properties of 1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one?
1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one has a molecular weight of 261.09 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one is sourced from PubChem (CID 134615503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).