5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one

C21H24F2O2 — CID 121480202

IUPAC5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one
SMILESCC(=O)C(C)(CCc1ccc(-c2ccccc2)cc1)C(C)(O)C(F)F
InChIInChI=1S/C21H24F2O2/c1-15(24)20(2,21(3,25)19(22)23)14-13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19,25H,13-14H2,1-3H3
InChIKeyOJNNNTYBNSLNOC-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.90
Rot. Bonds7

About 5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one

5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one (PubChem CID 121480202) has the molecular formula C21H24F2O2 and a molecular weight of 346.42 g/mol. Its IUPAC name is 5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one.

Molecular Properties

Compound Name5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one
PubChem CID121480202
Molecular FormulaC21H24F2O2
Molecular Weight346.42 g/mol
Exact Mass346.17
IUPAC Name5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one
SMILESCC(=O)C(C)(CCc1ccc(-c2ccccc2)cc1)C(C)(O)C(F)F
InChIInChI=1S/C21H24F2O2/c1-15(24)20(2,21(3,25)19(22)23)14-13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19,25H,13-14H2,1-3H3
InChIKeyOJNNNTYBNSLNOC-UHFFFAOYSA-N
XLogP4.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one?
The IUPAC name of 5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one (CID 121480202) is 5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one.
What is the SMILES notation for 5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one?
The canonical SMILES for 5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one is CC(=O)C(C)(CCc1ccc(-c2ccccc2)cc1)C(C)(O)C(F)F.
What is the InChIKey of 5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one?
The InChIKey is OJNNNTYBNSLNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2O2/c1-15(24)20(2,21(3,25)19(22)23)14-13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19,25H,13-14H2,1-3H3.
What are the key properties of 5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one?
5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one has a molecular weight of 346.42 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one is sourced from PubChem (CID 121480202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).