(5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one

C10H13F7O2 — CID 177455114

IUPAC(5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one
SMILESCC(C)(C)C(=O)C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h6,19H,4H2,1-3H3/t6-/m1/s1
InChIKeyWHEZWOGAWCLAFV-ZCFIWIBFSA-N
MW298.20 g/mol
LogP3.19
Rot. Bonds4

About (5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one

(5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one (PubChem CID 177455114) has the molecular formula C10H13F7O2 and a molecular weight of 298.20 g/mol. Its IUPAC name is (5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one.

Molecular Properties

Compound Name(5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one
PubChem CID177455114
Molecular FormulaC10H13F7O2
Molecular Weight298.20 g/mol
Exact Mass298.08
IUPAC Name(5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one
SMILESCC(C)(C)C(=O)C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h6,19H,4H2,1-3H3/t6-/m1/s1
InChIKeyWHEZWOGAWCLAFV-ZCFIWIBFSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.19
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 (5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one?
The IUPAC name of (5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one (CID 177455114) is (5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one.
What is the SMILES notation for (5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one?
The canonical SMILES for (5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one is CC(C)(C)C(=O)C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one?
The InChIKey is WHEZWOGAWCLAFV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h6,19H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of (5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one?
(5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one has a molecular weight of 298.20 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one is sourced from PubChem (CID 177455114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).