4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one

C8H9F5O2 — CID 135259187

IUPAC4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one
SMILESO=C1CCC(O)(C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C8H9F5O2/c9-7(10,8(11,12)13)6(15)3-1-5(14)2-4-6/h15H,1-4H2
InChIKeyFVKCDCTYAMQAAK-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.06
Rot. Bonds1

About 4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one

4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one (PubChem CID 135259187) has the molecular formula C8H9F5O2 and a molecular weight of 232.15 g/mol. Its IUPAC name is 4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one
PubChem CID135259187
Molecular FormulaC8H9F5O2
Molecular Weight232.15 g/mol
Exact Mass232.05
IUPAC Name4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one
SMILESO=C1CCC(O)(C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C8H9F5O2/c9-7(10,8(11,12)13)6(15)3-1-5(14)2-4-6/h15H,1-4H2
InChIKeyFVKCDCTYAMQAAK-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one?
The IUPAC name of 4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one (CID 135259187) is 4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one?
The canonical SMILES for 4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one is O=C1CCC(O)(C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one?
The InChIKey is FVKCDCTYAMQAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5O2/c9-7(10,8(11,12)13)6(15)3-1-5(14)2-4-6/h15H,1-4H2.
What are the key properties of 4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one?
4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one has a molecular weight of 232.15 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one is sourced from PubChem (CID 135259187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).