1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone

C14H7F3O3 — CID 43338555

IUPAC1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H7F3O3/c15-8-4-9(16)13(10(17)5-8)14(18)7-1-2-11-12(3-7)20-6-19-11/h1-5H,6H2
InChIKeyUPQOXQQHQSWMJW-UHFFFAOYSA-N
MW280.20 g/mol
LogP3.06
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone

1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone (PubChem CID 43338555) has the molecular formula C14H7F3O3 and a molecular weight of 280.20 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone
PubChem CID43338555
Molecular FormulaC14H7F3O3
Molecular Weight280.20 g/mol
Exact Mass280.03
IUPAC Name1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H7F3O3/c15-8-4-9(16)13(10(17)5-8)14(18)7-1-2-11-12(3-7)20-6-19-11/h1-5H,6H2
InChIKeyUPQOXQQHQSWMJW-UHFFFAOYSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone
CID 43337477
3,4-dihydro-2H-chromen-6-yl-(2,4,6-trifluorophenyl)methanone
CID 65101149
1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone
CID 63731843
CID 59303845
CID 59303845
1,3-benzodioxol-5-yl-[4-(dimethylamino)phenyl]methanone
CID 146006397
1,3-benzodioxol-5-yl-(4-tert-butylphenyl)methanone
CID 43337774
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101051
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 107123644
1-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-hydroxyethanone
CID 54204893
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
1,4-difluorobenzene;formyl 1,3-benzodioxole-5-carboxylate
CID 174580604
1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone
CID 134788063

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone (CID 43338555) is 1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone is O=C(c1ccc2c(c1)OCO2)c1c(F)cc(F)cc1F.
What is the InChIKey of 1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone?
The InChIKey is UPQOXQQHQSWMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3O3/c15-8-4-9(16)13(10(17)5-8)14(18)7-1-2-11-12(3-7)20-6-19-11/h1-5H,6H2.
What are the key properties of 1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone?
1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone has a molecular weight of 280.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 43338555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).