1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one

C10H10BrFO2 — CID 118852695

IUPAC1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Br)cc1OCF
InChIInChI=1S/C10H10BrFO2/c1-2-9(13)8-4-3-7(11)5-10(8)14-6-12/h3-5H,2,6H2,1H3
InChIKeyNDXMESKOOWZSMJ-UHFFFAOYSA-N
MW261.09 g/mol
LogP3.35
Rot. Bonds4

About 1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one

1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one (PubChem CID 118852695) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one
PubChem CID118852695
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Br)cc1OCF
InChIInChI=1S/C10H10BrFO2/c1-2-9(13)8-4-3-7(11)5-10(8)14-6-12/h3-5H,2,6H2,1H3
InChIKeyNDXMESKOOWZSMJ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one
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1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one (CID 118852695) is 1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one is CCC(=O)c1ccc(Br)cc1OCF.
What is the InChIKey of 1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one?
The InChIKey is NDXMESKOOWZSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-2-9(13)8-4-3-7(11)5-10(8)14-6-12/h3-5H,2,6H2,1H3.
What are the key properties of 1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one?
1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one has a molecular weight of 261.09 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 118852695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).