1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone

C6H6F2O2 — CID 102651098

IUPAC1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone
SMILESO=C(C1=CCCO1)C(F)F
InChIInChI=1S/C6H6F2O2/c7-6(8)5(9)4-2-1-3-10-4/h2,6H,1,3H2
InChIKeyHLUXTVRTGWOWFU-UHFFFAOYSA-N
MW148.11 g/mol
LogP1.12
Rot. Bonds2

About 1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone

1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone (PubChem CID 102651098) has the molecular formula C6H6F2O2 and a molecular weight of 148.11 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone
PubChem CID102651098
Molecular FormulaC6H6F2O2
Molecular Weight148.11 g/mol
Exact Mass148.03
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone
SMILESO=C(C1=CCCO1)C(F)F
InChIInChI=1S/C6H6F2O2/c7-6(8)5(9)4-2-1-3-10-4/h2,6H,1,3H2
InChIKeyHLUXTVRTGWOWFU-UHFFFAOYSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one
CID 102652629
1-(2,3-dihydrofuran-5-yl)but-3-en-1-one
CID 130171823
2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one
CID 102652408
(2,6-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102651034
1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one
CID 102652750
2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 102652553
cycloheptyl(2,3-dihydrofuran-5-yl)methanone
CID 102650976
cyclopenten-1-yl(2,3-dihydrofuran-5-yl)methanone
CID 103448067
1-(2,3-dihydrofuran-5-yl)-2-methoxyethanone
CID 102650887
2,3-dihydrofuran-5-yl(naphthalen-2-yl)methanone
CID 10775502
2,3-dihydrofuran-5-yl-(1-methylcyclohexyl)methanone
CID 106829749
(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102650842

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone (CID 102651098) is 1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone is O=C(C1=CCCO1)C(F)F.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone?
The InChIKey is HLUXTVRTGWOWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O2/c7-6(8)5(9)4-2-1-3-10-4/h2,6H,1,3H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone?
1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone has a molecular weight of 148.11 g/mol, XLogP of 1.12, 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-5-yl)-2,2-difluoroethanone is sourced from PubChem (CID 102651098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).