3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione

C7H10F2O2 — CID 19064344

IUPAC3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione
SMILESCC(=O)C(F)(CCF)C(C)=O
InChIInChI=1S/C7H10F2O2/c1-5(10)7(9,3-4-8)6(2)11/h3-4H2,1-2H3
InChIKeyDNGIYDORRNFSIV-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.23
Rot. Bonds4

About 3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione

3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione (PubChem CID 19064344) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione.

Molecular Properties

Compound Name3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione
PubChem CID19064344
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione
SMILESCC(=O)C(F)(CCF)C(C)=O
InChIInChI=1S/C7H10F2O2/c1-5(10)7(9,3-4-8)6(2)11/h3-4H2,1-2H3
InChIKeyDNGIYDORRNFSIV-UHFFFAOYSA-N
XLogP1.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione?
The IUPAC name of 3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione (CID 19064344) is 3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione.
What is the SMILES notation for 3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione?
The canonical SMILES for 3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione is CC(=O)C(F)(CCF)C(C)=O.
What is the InChIKey of 3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione?
The InChIKey is DNGIYDORRNFSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-5(10)7(9,3-4-8)6(2)11/h3-4H2,1-2H3.
What are the key properties of 3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione?
3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione has a molecular weight of 164.15 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-fluoroethyl)pentane-2,4-dione is sourced from PubChem (CID 19064344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).