(5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one

C8H6F10O2 — CID 98454869

IUPAC(5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one
SMILESC[C@@](O)(CC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F10O2/c1-4(20,6(11,12)8(16,17)18)2-3(19)5(9,10)7(13,14)15/h20H,2H2,1H3/t4-/m1/s1
InChIKeyRSQDKLHYENFHKE-SCSAIBSYSA-N
MW324.11 g/mol
LogP3.09
Rot. Bonds4

About (5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one

(5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one (PubChem CID 98454869) has the molecular formula C8H6F10O2 and a molecular weight of 324.11 g/mol. Its IUPAC name is (5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one.

Molecular Properties

Compound Name(5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one
PubChem CID98454869
Molecular FormulaC8H6F10O2
Molecular Weight324.11 g/mol
Exact Mass324.02
IUPAC Name(5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one
SMILESC[C@@](O)(CC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F10O2/c1-4(20,6(11,12)8(16,17)18)2-3(19)5(9,10)7(13,14)15/h20H,2H2,1H3/t4-/m1/s1
InChIKeyRSQDKLHYENFHKE-SCSAIBSYSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.11
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,2,2,6,6,7,7,7-decafluoroheptane-3,5-dione;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione
CID 162074940
1,1,1-trifluoro-2-hydroxy-2-methylheptan-4-one
CID 153345536
strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)
CID 138395037
1,1,1,2,2,3,3,7,7,8,8,9,9,9-tetradecafluorononane-4,6-dione
CID 617328
5,5,6,6,7,7,7-heptafluoro-4,4-dihydroxyheptan-2-one
CID 12951200
1,1,1,2,2-pentafluoro-5-sulfanylidenehexan-3-one
CID 139614689
(3R)-6,6,6-trifluoro-3-hydroxy-3-methylhexane-2,4-dione
CID 124638793
1,1,1,2,2,5-hexafluoropentan-3-one
CID 71359523
1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloctan-4-one
CID 13429305
1,1,1-trifluoro-2-hydroxy-2-methyloctan-4-one
CID 153346206
4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol
CID 151697911
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,25-pentacontafluoropentacosan-13-one
CID 158650223

Frequently Asked Questions

What is the IUPAC name of (5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one?
The IUPAC name of (5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one (CID 98454869) is (5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one.
What is the SMILES notation for (5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one?
The canonical SMILES for (5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one is C[C@@](O)(CC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one?
The InChIKey is RSQDKLHYENFHKE-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H6F10O2/c1-4(20,6(11,12)8(16,17)18)2-3(19)5(9,10)7(13,14)15/h20H,2H2,1H3/t4-/m1/s1.
What are the key properties of (5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one?
(5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one has a molecular weight of 324.11 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one is sourced from PubChem (CID 98454869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).