2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one

C17H16F2O2 — CID 164671793

IUPAC2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one
SMILESO=C(c1ccccc1)C(F)(F)C(O)CCc1ccccc1
InChIInChI=1S/C17H16F2O2/c18-17(19,16(21)14-9-5-2-6-10-14)15(20)12-11-13-7-3-1-4-8-13/h1-10,15,20H,11-12H2
InChIKeyXZASHCSJWUCJHP-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.50
Rot. Bonds6

About 2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one

2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one (PubChem CID 164671793) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one
PubChem CID164671793
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one
SMILESO=C(c1ccccc1)C(F)(F)C(O)CCc1ccccc1
InChIInChI=1S/C17H16F2O2/c18-17(19,16(21)14-9-5-2-6-10-14)15(20)12-11-13-7-3-1-4-8-13/h1-10,15,20H,11-12H2
InChIKeyXZASHCSJWUCJHP-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one?
The IUPAC name of 2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one (CID 164671793) is 2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one?
The canonical SMILES for 2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one is O=C(c1ccccc1)C(F)(F)C(O)CCc1ccccc1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one?
The InChIKey is XZASHCSJWUCJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c18-17(19,16(21)14-9-5-2-6-10-14)15(20)12-11-13-7-3-1-4-8-13/h1-10,15,20H,11-12H2.
What are the key properties of 2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one?
2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one has a molecular weight of 290.31 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-1,5-diphenylpentan-1-one is sourced from PubChem (CID 164671793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).