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

C17H16F2O — CID 176909936

IUPAC2,2-difluoro-1,5-diphenylpentan-1-one
SMILESO=C(c1ccccc1)C(F)(F)CCCc1ccccc1
InChIInChI=1S/C17H16F2O/c18-17(19,16(20)15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2
InChIKeyNHQPDVKEWFITGD-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.53
Rot. Bonds6

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

2,2-difluoro-1,5-diphenylpentan-1-one (PubChem CID 176909936) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 2,2-difluoro-1,5-diphenylpentan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1,5-diphenylpentan-1-one
PubChem CID176909936
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name2,2-difluoro-1,5-diphenylpentan-1-one
SMILESO=C(c1ccccc1)C(F)(F)CCCc1ccccc1
InChIInChI=1S/C17H16F2O/c18-17(19,16(20)15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2
InChIKeyNHQPDVKEWFITGD-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-1,5-diphenylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-18-phenyloctadecanoic acid
CID 67701072
2,2-difluoro-14-phenyltetradecanoic acid
CID 67700090
2,2-difluoro-1-phenylhexane-1,5-dione
CID 10561190
2-hydroxy-2-(3-phenylpropyl)propanedioic acid
CID 121011263
(2-methyl-5-phenylpentan-2-yl) benzoate
CID 118040368
2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 132547557
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
2,2-dimethoxy-1,4-diphenylbutan-1-one
CID 156787489
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
(5,5,5-trifluoro-4,4-dimethylpentyl)benzene
CID 145046793
3-phenylpropyl 2,2,3,3,3-pentafluoropropanoate
CID 10588942
2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
CID 155310115

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,5-diphenylpentan-1-one?
The IUPAC name of 2,2-difluoro-1,5-diphenylpentan-1-one (CID 176909936) is 2,2-difluoro-1,5-diphenylpentan-1-one.
What is the SMILES notation for 2,2-difluoro-1,5-diphenylpentan-1-one?
The canonical SMILES for 2,2-difluoro-1,5-diphenylpentan-1-one is O=C(c1ccccc1)C(F)(F)CCCc1ccccc1.
What is the InChIKey of 2,2-difluoro-1,5-diphenylpentan-1-one?
The InChIKey is NHQPDVKEWFITGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c18-17(19,16(20)15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2.
What are the key properties of 2,2-difluoro-1,5-diphenylpentan-1-one?
2,2-difluoro-1,5-diphenylpentan-1-one has a molecular weight of 274.31 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,5-diphenylpentan-1-one is sourced from PubChem (CID 176909936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).