1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone

C14H8F2O3 — CID 43337477

IUPAC1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)c1cc(F)ccc1F
InChIInChI=1S/C14H8F2O3/c15-9-2-3-11(16)10(6-9)14(17)8-1-4-12-13(5-8)19-7-18-12/h1-6H,7H2
InChIKeyKFISHXNNZQRAQV-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.92
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone

1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone (PubChem CID 43337477) has the molecular formula C14H8F2O3 and a molecular weight of 262.21 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone
PubChem CID43337477
Molecular FormulaC14H8F2O3
Molecular Weight262.21 g/mol
Exact Mass262.04
IUPAC Name1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)c1cc(F)ccc1F
InChIInChI=1S/C14H8F2O3/c15-9-2-3-11(16)10(6-9)14(17)8-1-4-12-13(5-8)19-7-18-12/h1-6H,7H2
InChIKeyKFISHXNNZQRAQV-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone
CID 43338555
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone
CID 766923
2,3-dihydro-1,4-benzodioxin-6-yl-(2,3,4-trifluorophenyl)methanone
CID 79757453
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
1-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-hydroxyethanone
CID 54204893
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 107123644
(3-chloro-4-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 63093813
1,4-difluorobenzene;formyl 1,3-benzodioxole-5-carboxylate
CID 174580604
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-difluorobenzamide
CID 30501354
CID 59303845
CID 59303845
1,3-benzodioxol-5-yl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370807

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone (CID 43337477) is 1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone is O=C(c1ccc2c(c1)OCO2)c1cc(F)ccc1F.
What is the InChIKey of 1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone?
The InChIKey is KFISHXNNZQRAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2O3/c15-9-2-3-11(16)10(6-9)14(17)8-1-4-12-13(5-8)19-7-18-12/h1-6H,7H2.
What are the key properties of 1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone?
1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone has a molecular weight of 262.21 g/mol, XLogP of 2.92, 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-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 43337477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).