1-cyclopropyl-4,4-difluoropentane-1,3-dione

C8H10F2O2 — CID 165483797

IUPAC1-cyclopropyl-4,4-difluoropentane-1,3-dione
SMILESCC(F)(F)C(=O)CC(=O)C1CC1
InChIInChI=1S/C8H10F2O2/c1-8(9,10)7(12)4-6(11)5-2-3-5/h5H,2-4H2,1H3
InChIKeyHIRORTKCWHFLQF-UHFFFAOYSA-N
MW176.16 g/mol
LogP1.58
Rot. Bonds4

About 1-cyclopropyl-4,4-difluoropentane-1,3-dione

1-cyclopropyl-4,4-difluoropentane-1,3-dione (PubChem CID 165483797) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is 1-cyclopropyl-4,4-difluoropentane-1,3-dione.

Molecular Properties

Compound Name1-cyclopropyl-4,4-difluoropentane-1,3-dione
PubChem CID165483797
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name1-cyclopropyl-4,4-difluoropentane-1,3-dione
SMILESCC(F)(F)C(=O)CC(=O)C1CC1
InChIInChI=1S/C8H10F2O2/c1-8(9,10)7(12)4-6(11)5-2-3-5/h5H,2-4H2,1H3
InChIKeyHIRORTKCWHFLQF-UHFFFAOYSA-N
XLogP1.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 51.58
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 1-cyclopropyl-4,4-difluoropentane-1,3-dione?
The IUPAC name of 1-cyclopropyl-4,4-difluoropentane-1,3-dione (CID 165483797) is 1-cyclopropyl-4,4-difluoropentane-1,3-dione.
What is the SMILES notation for 1-cyclopropyl-4,4-difluoropentane-1,3-dione?
The canonical SMILES for 1-cyclopropyl-4,4-difluoropentane-1,3-dione is CC(F)(F)C(=O)CC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-4,4-difluoropentane-1,3-dione?
The InChIKey is HIRORTKCWHFLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2/c1-8(9,10)7(12)4-6(11)5-2-3-5/h5H,2-4H2,1H3.
What are the key properties of 1-cyclopropyl-4,4-difluoropentane-1,3-dione?
1-cyclopropyl-4,4-difluoropentane-1,3-dione has a molecular weight of 176.16 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4,4-difluoropentane-1,3-dione is sourced from PubChem (CID 165483797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).