3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one

C11H7F7O2 — CID 101051486

IUPAC3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one
SMILESO=C(c1ccccc1)C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F7O2/c12-9(13,10(14,15)11(16,17)18)8(20)7(19)6-4-2-1-3-5-6/h1-5,8,20H
InChIKeyIZVISWITXMHFCC-UHFFFAOYSA-N
MW304.16 g/mol
LogP3.06
Rot. Bonds4

About 3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one

3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one (PubChem CID 101051486) has the molecular formula C11H7F7O2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one
PubChem CID101051486
Molecular FormulaC11H7F7O2
Molecular Weight304.16 g/mol
Exact Mass304.03
IUPAC Name3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one
SMILESO=C(c1ccccc1)C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F7O2/c12-9(13,10(14,15)11(16,17)18)8(20)7(19)6-4-2-1-3-5-6/h1-5,8,20H
InChIKeyIZVISWITXMHFCC-UHFFFAOYSA-N
XLogP3.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-4,4,5,5,6,6,7,7,7-nonafluoro-3-hydroxy-1-phenylheptan-1-one
CID 11102554
(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methyl-1-phenylbutan-1-one
CID 101153138
4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one
CID 20709916
4,4,4-trifluoro-3,3-dihydroxy-2-iodo-1-phenylbutan-1-one
CID 135045219
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one
CID 53255086
(2R,3R)-3-hydroxy-2-iodo-1,3-diphenylpropan-1-one
CID 11360131
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 134967315
3-amino-2,2-difluoro-4-oxo-4-phenylbutanoic acid
CID 68606166
3-hydroxy-2,4,4-trimethyl-1-phenylpentan-1-one
CID 13023589
(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one (CID 101051486) is 3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one is O=C(c1ccccc1)C(O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one?
The InChIKey is IZVISWITXMHFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F7O2/c12-9(13,10(14,15)11(16,17)18)8(20)7(19)6-4-2-1-3-5-6/h1-5,8,20H.
What are the key properties of 3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one?
3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one has a molecular weight of 304.16 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one is sourced from PubChem (CID 101051486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).