4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one

C18H12F2O3 — CID 135028525

IUPAC4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one
SMILESO=C1C=CC(O)(C(F)(F)C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H12F2O3/c19-18(20,16(22)12-6-2-1-3-7-12)17(23)11-10-15(21)13-8-4-5-9-14(13)17/h1-11,23H
InChIKeyCXMWKMXABFNNGY-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.14
Rot. Bonds3

About 4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one

4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one (PubChem CID 135028525) has the molecular formula C18H12F2O3 and a molecular weight of 314.29 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one.

Molecular Properties

Compound Name4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one
PubChem CID135028525
Molecular FormulaC18H12F2O3
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one
SMILESO=C1C=CC(O)(C(F)(F)C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H12F2O3/c19-18(20,16(22)12-6-2-1-3-7-12)17(23)11-10-15(21)13-8-4-5-9-14(13)17/h1-11,23H
InChIKeyCXMWKMXABFNNGY-UHFFFAOYSA-N
XLogP3.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-phenyl-2H-isoindol-1-one
CID 162410824
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one
CID 102346465
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
acetic acid;naphthalene-1,4-dione
CID 163817542
3-[2-(4-chlorophenyl)-1,1-difluoro-2-oxoethyl]-3-phenyl-2H-isoindol-1-one
CID 162410839
2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one
CID 101146953
4-hydroperoxy-4-methylnaphthalen-1-one
CID 13383451
ethane;naphthalene-1,4-dione
CID 54088717
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
3,3,3-trifluoro-1-phenylpropane-1,2-dione;hydrate
CID 2781162
2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone
CID 156695088
hydron;naphthalene-1,4-dione
CID 174880921

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one?
The IUPAC name of 4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one (CID 135028525) is 4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one.
What is the SMILES notation for 4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one?
The canonical SMILES for 4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one is O=C1C=CC(O)(C(F)(F)C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one?
The InChIKey is CXMWKMXABFNNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2O3/c19-18(20,16(22)12-6-2-1-3-7-12)17(23)11-10-15(21)13-8-4-5-9-14(13)17/h1-11,23H.
What are the key properties of 4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one?
4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one has a molecular weight of 314.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one is sourced from PubChem (CID 135028525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).