5-(5-bromo-2,3-difluorophenoxy)pentan-2-one

C11H11BrF2O2 — CID 107100400

IUPAC5-(5-bromo-2,3-difluorophenoxy)pentan-2-one
SMILESCC(=O)CCCOc1cc(Br)cc(F)c1F
InChIInChI=1S/C11H11BrF2O2/c1-7(15)3-2-4-16-10-6-8(12)5-9(13)11(10)14/h5-6H,2-4H2,1H3
InChIKeyRCJPBGVPBGJWCY-UHFFFAOYSA-N
MW293.11 g/mol
LogP3.48
Rot. Bonds5

About 5-(5-bromo-2,3-difluorophenoxy)pentan-2-one

5-(5-bromo-2,3-difluorophenoxy)pentan-2-one (PubChem CID 107100400) has the molecular formula C11H11BrF2O2 and a molecular weight of 293.11 g/mol. Its IUPAC name is 5-(5-bromo-2,3-difluorophenoxy)pentan-2-one.

Molecular Properties

Compound Name5-(5-bromo-2,3-difluorophenoxy)pentan-2-one
PubChem CID107100400
Molecular FormulaC11H11BrF2O2
Molecular Weight293.11 g/mol
Exact Mass291.99
IUPAC Name5-(5-bromo-2,3-difluorophenoxy)pentan-2-one
SMILESCC(=O)CCCOc1cc(Br)cc(F)c1F
InChIInChI=1S/C11H11BrF2O2/c1-7(15)3-2-4-16-10-6-8(12)5-9(13)11(10)14/h5-6H,2-4H2,1H3
InChIKeyRCJPBGVPBGJWCY-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-decoxy-2,3-difluorobenzene
CID 107098815
4-(5-bromo-2,3-difluorophenoxy)butane-1-thiol
CID 107102524
5-bromo-1-(3,3-dimethylbutoxy)-2,3-difluorobenzene
CID 107098584
5-bromo-1,2-difluoro-3-(4,4,4-trifluorobutoxy)benzene
CID 107098654
1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
CID 107508257
5-bromo-1,2-difluoro-3-pent-4-ynoxybenzene
CID 107098739
5-bromo-1,2-difluoro-3-(3,3,3-trifluoropropoxy)benzene
CID 107098938
5-bromo-1-but-3-ynoxy-2,3-difluorobenzene
CID 107098780
2-[3-(5-bromo-2,3-difluorophenoxy)propoxy]aniline
CID 107097705
N-[3-(5-bromo-2,3-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 107101304
2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
CID 107100337
2-(5-bromo-2,3-difluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 107100430

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2,3-difluorophenoxy)pentan-2-one?
The IUPAC name of 5-(5-bromo-2,3-difluorophenoxy)pentan-2-one (CID 107100400) is 5-(5-bromo-2,3-difluorophenoxy)pentan-2-one.
What is the SMILES notation for 5-(5-bromo-2,3-difluorophenoxy)pentan-2-one?
The canonical SMILES for 5-(5-bromo-2,3-difluorophenoxy)pentan-2-one is CC(=O)CCCOc1cc(Br)cc(F)c1F.
What is the InChIKey of 5-(5-bromo-2,3-difluorophenoxy)pentan-2-one?
The InChIKey is RCJPBGVPBGJWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2O2/c1-7(15)3-2-4-16-10-6-8(12)5-9(13)11(10)14/h5-6H,2-4H2,1H3.
What are the key properties of 5-(5-bromo-2,3-difluorophenoxy)pentan-2-one?
5-(5-bromo-2,3-difluorophenoxy)pentan-2-one has a molecular weight of 293.11 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2,3-difluorophenoxy)pentan-2-one is sourced from PubChem (CID 107100400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).