2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one

C9H9F7O — CID 13431587

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one
SMILESO=C1CCCCC1C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F7O/c10-7(11,8(12,13)9(14,15)16)5-3-1-2-4-6(5)17/h5H,1-4H2
InChIKeyGIKZDAQXHSEHMI-UHFFFAOYSA-N
MW266.16 g/mol
LogP3.58
Rot. Bonds2

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one

2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one (PubChem CID 13431587) has the molecular formula C9H9F7O and a molecular weight of 266.16 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one
PubChem CID13431587
Molecular FormulaC9H9F7O
Molecular Weight266.16 g/mol
Exact Mass266.05
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one
SMILESO=C1CCCCC1C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F7O/c10-7(11,8(12,13)9(14,15)16)5-3-1-2-4-6(5)17/h5H,1-4H2
InChIKeyGIKZDAQXHSEHMI-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one (CID 13431587) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one is O=C1CCCCC1C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one?
The InChIKey is GIKZDAQXHSEHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F7O/c10-7(11,8(12,13)9(14,15)16)5-3-1-2-4-6(5)17/h5H,1-4H2.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one?
2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one has a molecular weight of 266.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one is sourced from PubChem (CID 13431587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).