2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone

C10H10BrFO2 — CID 130899330

IUPAC2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone
SMILESCC1(C(=O)Cc2coc(Br)c2)CC1F
InChIInChI=1S/C10H10BrFO2/c1-10(4-7(10)12)8(13)2-6-3-9(11)14-5-6/h3,5,7H,2,4H2,1H3
InChIKeyGDCQFDFVSRCWCY-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.90
Rot. Bonds3

About 2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone

2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone (PubChem CID 130899330) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone
PubChem CID130899330
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone
SMILESCC1(C(=O)Cc2coc(Br)c2)CC1F
InChIInChI=1S/C10H10BrFO2/c1-10(4-7(10)12)8(13)2-6-3-9(11)14-5-6/h3,5,7H,2,4H2,1H3
InChIKeyGDCQFDFVSRCWCY-UHFFFAOYSA-N
XLogP2.90
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Lepalone
CID 535169
(2R)-2-fluoro-2-(furan-3-yl)cyclohexan-1-one
CID 101906825
2-Bromo-3-hexylfuran
CID 139844398
3-Furyl methyl octyl ketone
CID 14755507
1-(3-Bromo-4-fluorophenyl)-2-(furan-3-yl)ethanone
CID 83171424
5,5,5-Trifluoro-1-(furan-3-yl)pentan-2-one
CID 83172597
1-(3-Bromo-5-fluorophenyl)-2-(furan-3-yl)ethanone
CID 83172720
1-(2-Bromofuran-3-yl)-5,5,5-trifluoropentan-1-one
CID 106856747
1-(3-Bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone
CID 107957320
1-(2-Bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone
CID 114885384
1-(5-Bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone
CID 114894309
1-(4-Bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone
CID 114905849

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone?
The IUPAC name of 2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone (CID 130899330) is 2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone.
What is the SMILES notation for 2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone?
The canonical SMILES for 2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone is CC1(C(=O)Cc2coc(Br)c2)CC1F.
What is the InChIKey of 2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone?
The InChIKey is GDCQFDFVSRCWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-10(4-7(10)12)8(13)2-6-3-9(11)14-5-6/h3,5,7H,2,4H2,1H3.
What are the key properties of 2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone?
2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone has a molecular weight of 261.09 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-3-yl)-1-(2-fluoro-1-methylcyclopropyl)ethanone is sourced from PubChem (CID 130899330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).