1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one

C8H11FO2 — CID 130579835

IUPAC1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)C1=COCC1
InChIInChI=1S/C8H11FO2/c1-8(2,9)7(10)6-3-4-11-5-6/h5H,3-4H2,1-2H3
InChIKeyACGRKGFLUGLIMI-UHFFFAOYSA-N
MW158.17 g/mol
LogP1.61
Rot. Bonds2

About 1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one

1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one (PubChem CID 130579835) has the molecular formula C8H11FO2 and a molecular weight of 158.17 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one
PubChem CID130579835
Molecular FormulaC8H11FO2
Molecular Weight158.17 g/mol
Exact Mass158.07
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)C1=COCC1
InChIInChI=1S/C8H11FO2/c1-8(2,9)7(10)6-3-4-11-5-6/h5H,3-4H2,1-2H3
InChIKeyACGRKGFLUGLIMI-UHFFFAOYSA-N
XLogP1.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Methylpropyl)furan-3-one
CID 13759280
1-(2,3-Dihydrofuran-4-yl)-2-methylpropan-1-one
CID 130579192
1-(2,3-Dihydrofuran-4-yl)propan-1-one
CID 130579196
1-(2,3-Dihydrofuran-4-yl)-2-methylbutan-1-one
CID 130579240
1-(2,3-Dihydrofuran-4-yl)-2-methylprop-2-en-1-one
CID 130579356
1-(2,3-Dihydrofuran-4-yl)-2,2-dimethylbutan-1-one
CID 130579778

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one (CID 130579835) is 1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one is CC(C)(F)C(=O)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one?
The InChIKey is ACGRKGFLUGLIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO2/c1-8(2,9)7(10)6-3-4-11-5-6/h5H,3-4H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one?
1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one has a molecular weight of 158.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 130579835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).