3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one

C17H16F2O2 — CID 132504044

IUPAC3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one
SMILESO=C(Cc1ccccc1)C(F)(F)COCc1ccccc1
InChIInChI=1S/C17H16F2O2/c18-17(19,13-21-12-15-9-5-2-6-10-15)16(20)11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyWHKLRSHZTNPUOF-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.65
Rot. Bonds7

About 3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one

3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one (PubChem CID 132504044) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one.

Molecular Properties

Compound Name3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one
PubChem CID132504044
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one
SMILESO=C(Cc1ccccc1)C(F)(F)COCc1ccccc1
InChIInChI=1S/C17H16F2O2/c18-17(19,13-21-12-15-9-5-2-6-10-15)16(20)11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyWHKLRSHZTNPUOF-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl phenylacetate
CID 60999
Dibenzyl sebacate
CID 8790
(R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-3-phenylcyclobutanone
CID 10237920
Dibenzyl azelate
CID 74734
Octanedioic acid, 1,8-bis(phenylmethyl) ester
CID 170648
4-(Benzyloxy)cyclohexanone
CID 10987369
4-Vinylbenzyl perfluorooctanoate
CID 2778077
Benzyl heptadecafluorononanoate
CID 54095703
3,5-Dimethyl-2,6-diphenyloxan-4-one
CID 326146
2-Phenyloxan-4-one
CID 18976535
4-(Benzyloxy)-1-phenylbutan-1-one
CID 22312021
Cis-2,6-Diphenyltetrahydropyrone
CID 388786

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one?
The IUPAC name of 3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one (CID 132504044) is 3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one.
What is the SMILES notation for 3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one?
The canonical SMILES for 3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one is O=C(Cc1ccccc1)C(F)(F)COCc1ccccc1.
What is the InChIKey of 3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one?
The InChIKey is WHKLRSHZTNPUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c18-17(19,13-21-12-15-9-5-2-6-10-15)16(20)11-14-7-3-1-4-8-14/h1-10H,11-13H2.
What are the key properties of 3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one?
3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one has a molecular weight of 290.31 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-phenyl-4-phenylmethoxybutan-2-one is sourced from PubChem (CID 132504044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).