2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone

C15H11FO3 — CID 766923

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)c1ccccc1F
InChIInChI=1S/C15H11FO3/c16-12-4-2-1-3-11(12)15(17)10-5-6-13-14(9-10)19-8-7-18-13/h1-6,9H,7-8H2
InChIKeyZWCBVMHGAWACIH-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.83
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone

2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone (PubChem CID 766923) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone
PubChem CID766923
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)c1ccccc1F
InChIInChI=1S/C15H11FO3/c16-12-4-2-1-3-11(12)15(17)10-5-6-13-14(9-10)19-8-7-18-13/h1-6,9H,7-8H2
InChIKeyZWCBVMHGAWACIH-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-(2,3,4-trifluorophenyl)methanone
CID 79757453
[2-(2-fluorophenyl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7417661
[24-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)methanone
CID 3265829
(4-bromo-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-(2-fluorophenyl)methanone
CID 19774216
1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone
CID 43337477
(3-bromo-2-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 107949641
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 5028469
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 107123644
(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-fluorophenyl)prop-2-enoic acid
CID 83951037
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrrol-2-yl)methanone
CID 63750334
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide
CID 36653806
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanone
CID 43338936

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone (CID 766923) is 2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone is O=C(c1ccc2c(c1)OCCO2)c1ccccc1F.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone?
The InChIKey is ZWCBVMHGAWACIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c16-12-4-2-1-3-11(12)15(17)10-5-6-13-14(9-10)19-8-7-18-13/h1-6,9H,7-8H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone has a molecular weight of 258.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone is sourced from PubChem (CID 766923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).