7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one

C16H11FO4 — CID 71504953

IUPAC7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one
SMILESO=C1c2ccc3c(c2OC1Cc1ccccc1F)OCO3
InChIInChI=1S/C16H11FO4/c17-11-4-2-1-3-9(11)7-13-14(18)10-5-6-12-16(15(10)21-13)20-8-19-12/h1-6,13H,7-8H2
InChIKeyDFZOHIFDWPGYIS-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.74
Rot. Bonds2

About 7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one

7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one (PubChem CID 71504953) has the molecular formula C16H11FO4 and a molecular weight of 286.26 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one
PubChem CID71504953
Molecular FormulaC16H11FO4
Molecular Weight286.26 g/mol
Exact Mass286.06
IUPAC Name7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one
SMILESO=C1c2ccc3c(c2OC1Cc1ccccc1F)OCO3
InChIInChI=1S/C16H11FO4/c17-11-4-2-1-3-9(11)7-13-14(18)10-5-6-12-16(15(10)21-13)20-8-19-12/h1-6,13H,7-8H2
InChIKeyDFZOHIFDWPGYIS-UHFFFAOYSA-N
XLogP2.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 89050192
2-(1,3-benzodioxol-5-ylmethyl)indene-1,3-dione
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CID 34577677
2-[(4-fluoro-1,3-benzodioxol-5-yl)methyl]-3-hydroxyisoindol-2-ium-1-one
CID 143817202
1-[(2S)-3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-3-[(2-fluorophenyl)methyl]urea
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N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide
CID 61216385
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CID 115062355
2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 90806685
1-[(2S)-3-(1,3-benzodioxol-4-yl)-2-(dimethylamino)propyl]-3-[2-(2-fluorophenyl)ethyl]urea
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5-fluoro-4-iodo-1,3-benzodioxole
CID 166057679
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CID 46172843

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one?
The IUPAC name of 7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one (CID 71504953) is 7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one.
What is the SMILES notation for 7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one?
The canonical SMILES for 7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one is O=C1c2ccc3c(c2OC1Cc1ccccc1F)OCO3.
What is the InChIKey of 7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one?
The InChIKey is DFZOHIFDWPGYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4/c17-11-4-2-1-3-9(11)7-13-14(18)10-5-6-12-16(15(10)21-13)20-8-19-12/h1-6,13H,7-8H2.
What are the key properties of 7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one?
7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one has a molecular weight of 286.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one is sourced from PubChem (CID 71504953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).