(2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

C15H9ClF2O3 — CID 107475799

IUPAC(2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)C1COc2ccccc2O1
InChIInChI=1S/C15H9ClF2O3/c16-9-6-11(18)10(17)5-8(9)15(19)14-7-20-12-3-1-2-4-13(12)21-14/h1-6,14H,7H2
InChIKeyUHSQUNLERUTKJJ-UHFFFAOYSA-N
MW310.68 g/mol
LogP3.64
Rot. Bonds2

About (2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

(2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (PubChem CID 107475799) has the molecular formula C15H9ClF2O3 and a molecular weight of 310.68 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
PubChem CID107475799
Molecular FormulaC15H9ClF2O3
Molecular Weight310.68 g/mol
Exact Mass310.02
IUPAC Name(2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)C1COc2ccccc2O1
InChIInChI=1S/C15H9ClF2O3/c16-9-6-11(18)10(17)5-8(9)15(19)14-7-20-12-3-1-2-4-13(12)21-14/h1-6,14H,7H2
InChIKeyUHSQUNLERUTKJJ-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.68
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 65351066
2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone
CID 43338535
(2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 43344746
(5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 65351116
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447
2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-3-methylphenyl)methanone
CID 65351117
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350801
(3S)-N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2664671
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
CID 65350957
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350693
(3,4-dichlorophenyl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7861942

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (CID 107475799) is (2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is O=C(c1cc(F)c(F)cc1Cl)C1COc2ccccc2O1.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The InChIKey is UHSQUNLERUTKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2O3/c16-9-6-11(18)10(17)5-8(9)15(19)14-7-20-12-3-1-2-4-13(12)21-14/h1-6,14H,7H2.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
(2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone has a molecular weight of 310.68 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is sourced from PubChem (CID 107475799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).