1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione

C14H10F2O3 — CID 43138932

IUPAC1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
SMILESCc1occc1C(=O)CC(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H10F2O3/c1-8-10(4-5-19-8)13(17)7-14(18)11-6-9(15)2-3-12(11)16/h2-6H,7H2,1H3
InChIKeyFUDOWPVRKGXQNB-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.32
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione

1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione (PubChem CID 43138932) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
PubChem CID43138932
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
SMILESCc1occc1C(=O)CC(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H10F2O3/c1-8-10(4-5-19-8)13(17)7-14(18)11-6-9(15)2-3-12(11)16/h2-6H,7H2,1H3
InChIKeyFUDOWPVRKGXQNB-UHFFFAOYSA-N
XLogP3.32
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43321403
1-(5-fluoro-2-pyridinyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 83120325
(2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone
CID 43462661
1-(2,5-difluorophenyl)-3-methylbut-3-en-1-one
CID 79177351
4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide
CID 82115206
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 62802575
2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680875
1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
CID 82112284
2-iodo-1-(2-methylfuran-3-yl)ethanone
CID 89341465
1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone
CID 165037086
5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide
CID 94271165
1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone
CID 43227426

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione (CID 43138932) is 1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione is Cc1occc1C(=O)CC(=O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione?
The InChIKey is FUDOWPVRKGXQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c1-8-10(4-5-19-8)13(17)7-14(18)11-6-9(15)2-3-12(11)16/h2-6H,7H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione?
1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione has a molecular weight of 264.23 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione is sourced from PubChem (CID 43138932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).