(5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one

C15H18F4O2 — CID 2250954

IUPAC(5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one
SMILESCC(C)(C)C(=O)C[C@@](O)(c1ccccc1)C(F)(F)C(F)F
InChIInChI=1S/C15H18F4O2/c1-13(2,3)11(20)9-14(21,15(18,19)12(16)17)10-7-5-4-6-8-10/h4-8,12,21H,9H2,1-3H3/t14-/m1/s1
InChIKeyWWIOLTWSDLMDMH-CQSZACIVSA-N
MW306.30 g/mol
LogP3.78
Rot. Bonds5

About (5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one

(5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one (PubChem CID 2250954) has the molecular formula C15H18F4O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is (5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one.

Molecular Properties

Compound Name(5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one
PubChem CID2250954
Molecular FormulaC15H18F4O2
Molecular Weight306.30 g/mol
Exact Mass306.12
IUPAC Name(5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one
SMILESCC(C)(C)C(=O)C[C@@](O)(c1ccccc1)C(F)(F)C(F)F
InChIInChI=1S/C15H18F4O2/c1-13(2,3)11(20)9-14(21,15(18,19)12(16)17)10-7-5-4-6-8-10/h4-8,12,21H,9H2,1-3H3/t14-/m1/s1
InChIKeyWWIOLTWSDLMDMH-CQSZACIVSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one with MolForge

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Related Compounds

(4S)-5,5,6,6-tetrafluoro-4-hydroxy-4-phenylhexan-2-one
CID 744416
4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid
CID 3879446
(3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
CID 97339946
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
CID 170020626
2-phenylpropan-2-ylcarbamic acid
CID 23445609
(2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride
CID 119769269
2,2-difluoro-3-hydroxy-3-phenyloctanethioic S-acid
CID 19598275
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341
4,4,4-trifluoro-3-hydroxy-1-(2-hydroxyphenyl)-3-phenylbutan-1-one
CID 6611473
(3,3-dimethyl-2-oxobutyl)-triphenylphosphanium bromide
CID 19850748
2-hydroxy-2-phenylhexan-3-one
CID 3696245

Frequently Asked Questions

What is the IUPAC name of (5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one?
The IUPAC name of (5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one (CID 2250954) is (5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one.
What is the SMILES notation for (5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one?
The canonical SMILES for (5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one is CC(C)(C)C(=O)C[C@@](O)(c1ccccc1)C(F)(F)C(F)F.
What is the InChIKey of (5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one?
The InChIKey is WWIOLTWSDLMDMH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18F4O2/c1-13(2,3)11(20)9-14(21,15(18,19)12(16)17)10-7-5-4-6-8-10/h4-8,12,21H,9H2,1-3H3/t14-/m1/s1.
What are the key properties of (5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one?
(5R)-6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one has a molecular weight of 306.30 g/mol, XLogP of 3.78, 5 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-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one is sourced from PubChem (CID 2250954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).