2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one

C19H14F2O — CID 132547557

IUPAC2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H14F2O/c20-19(21,18(22)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12H,13H2
InChIKeyJQMHZPIPJYHUFX-UHFFFAOYSA-N
MW296.32 g/mol
LogP4.90
Rot. Bonds4

About 2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one

2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one (PubChem CID 132547557) has the molecular formula C19H14F2O and a molecular weight of 296.32 g/mol. Its IUPAC name is 2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one
PubChem CID132547557
Molecular FormulaC19H14F2O
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H14F2O/c20-19(21,18(22)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12H,13H2
InChIKeyJQMHZPIPJYHUFX-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane
CID 144811646
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
2,2-difluoro-1,5-diphenylpentan-1-one
CID 176909936
2-(4,4,4-trifluorobutyl)naphthalene
CID 91307122
2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one
CID 132547565
(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 134948100
sodium 2-naphthalen-2-ylacetate
CID 23688045
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone
CID 56655281
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
naphthalene-2-carboxylic acid
CID 175967775

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one?
The IUPAC name of 2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one (CID 132547557) is 2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one?
The canonical SMILES for 2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one is O=C(c1ccccc1)C(F)(F)Cc1ccc2ccccc2c1.
What is the InChIKey of 2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one?
The InChIKey is JQMHZPIPJYHUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2O/c20-19(21,18(22)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12H,13H2.
What are the key properties of 2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one?
2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one has a molecular weight of 296.32 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one is sourced from PubChem (CID 132547557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).