(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one

C11H9F5O2 — CID 53255086

IUPAC(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one
SMILESO=C(C[C@@H](O)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H9F5O2/c12-10(13,11(14,15)16)9(18)6-8(17)7-4-2-1-3-5-7/h1-5,9,18H,6H2/t9-/m1/s1
InChIKeyDCVGEZPFPGTEQK-SECBINFHSA-N
MW268.18 g/mol
LogP2.82
Rot. Bonds4

About (3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one

(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one (PubChem CID 53255086) has the molecular formula C11H9F5O2 and a molecular weight of 268.18 g/mol. Its IUPAC name is (3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one.

Molecular Properties

Compound Name(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one
PubChem CID53255086
Molecular FormulaC11H9F5O2
Molecular Weight268.18 g/mol
Exact Mass268.05
IUPAC Name(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one
SMILESO=C(C[C@@H](O)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H9F5O2/c12-10(13,11(14,15)16)9(18)6-8(17)7-4-2-1-3-5-7/h1-5,9,18H,6H2/t9-/m1/s1
InChIKeyDCVGEZPFPGTEQK-SECBINFHSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 52.82
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

3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
CID 57327357
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
4-bromo-3-hydroxy-1-phenylbutan-1-one
CID 13032297
3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one
CID 101051486
2-(1-chloro-1,1-difluoro-4-oxo-4-phenylbutan-2-yl)propanedioic acid
CID 175430356
4,4,5,5,5-pentafluoro-1-phenyl-3-(pyrazin-2-ylamino)pentan-1-one
CID 132531268
(2R)-4-oxo-4-phenyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 59018496
3,5,5-trifluoro-1-phenylpentane-1,4-dione
CID 175401835
(E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one
CID 102234820
4,4,4-trifluoro-3-(nitromethyl)-1-phenylbutan-1-one
CID 14931928

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one?
The IUPAC name of (3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one (CID 53255086) is (3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one.
What is the SMILES notation for (3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one?
The canonical SMILES for (3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one is O=C(C[C@@H](O)C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of (3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one?
The InChIKey is DCVGEZPFPGTEQK-SECBINFHSA-N. The full InChI is InChI=1S/C11H9F5O2/c12-10(13,11(14,15)16)9(18)6-8(17)7-4-2-1-3-5-7/h1-5,9,18H,6H2/t9-/m1/s1.
What are the key properties of (3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one?
(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one has a molecular weight of 268.18 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one is sourced from PubChem (CID 53255086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).