1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one

C9H8BrF3O2 — CID 106856747

IUPAC1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)c1ccoc1Br
InChIInChI=1S/C9H8BrF3O2/c10-8-6(3-5-15-8)7(14)2-1-4-9(11,12)13/h3,5H,1-2,4H2
InChIKeyXAHABXGKFBHBHP-UHFFFAOYSA-N
MW285.06 g/mol
LogP3.96
Rot. Bonds4

About 1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one

1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one (PubChem CID 106856747) has the molecular formula C9H8BrF3O2 and a molecular weight of 285.06 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one
PubChem CID106856747
Molecular FormulaC9H8BrF3O2
Molecular Weight285.06 g/mol
Exact Mass283.97
IUPAC Name1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)c1ccoc1Br
InChIInChI=1S/C9H8BrF3O2/c10-8-6(3-5-15-8)7(14)2-1-4-9(11,12)13/h3,5H,1-2,4H2
InChIKeyXAHABXGKFBHBHP-UHFFFAOYSA-N
XLogP3.96
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one (CID 106856747) is 1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one is O=C(CCCC(F)(F)F)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one?
The InChIKey is XAHABXGKFBHBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O2/c10-8-6(3-5-15-8)7(14)2-1-4-9(11,12)13/h3,5H,1-2,4H2.
What are the key properties of 1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one?
1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one has a molecular weight of 285.06 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 106856747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).