2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one

C8H10F2O2 — CID 12847392

IUPAC2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one
SMILESO=C(CF)C1(F)CCCCC1=O
InChIInChI=1S/C8H10F2O2/c9-5-7(12)8(10)4-2-1-3-6(8)11/h1-5H2
InChIKeyFWRPUARGIUVDNW-UHFFFAOYSA-N
MW176.16 g/mol
LogP1.38
Rot. Bonds2

About 2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one

2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one (PubChem CID 12847392) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is 2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one
PubChem CID12847392
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one
SMILESO=C(CF)C1(F)CCCCC1=O
InChIInChI=1S/C8H10F2O2/c9-5-7(12)8(10)4-2-1-3-6(8)11/h1-5H2
InChIKeyFWRPUARGIUVDNW-UHFFFAOYSA-N
XLogP1.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 51.38
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 2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one?
The IUPAC name of 2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one (CID 12847392) is 2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one.
What is the SMILES notation for 2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one?
The canonical SMILES for 2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one is O=C(CF)C1(F)CCCCC1=O.
What is the InChIKey of 2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one?
The InChIKey is FWRPUARGIUVDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2/c9-5-7(12)8(10)4-2-1-3-6(8)11/h1-5H2.
What are the key properties of 2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one?
2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one has a molecular weight of 176.16 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-fluoroacetyl)cyclohexan-1-one is sourced from PubChem (CID 12847392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).