fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate

C14H15FO4 — CID 144625647

IUPACfluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
SMILESCCC1(CC(=O)OF)CCc2cc(O)ccc2C1=O
InChIInChI=1S/C14H15FO4/c1-2-14(8-12(17)19-15)6-5-9-7-10(16)3-4-11(9)13(14)18/h3-4,7,16H,2,5-6,8H2,1H3
InChIKeyYKTZNXWDCMSQHJ-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.74
Rot. Bonds3

About fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate

fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate (PubChem CID 144625647) has the molecular formula C14H15FO4 and a molecular weight of 266.27 g/mol. Its IUPAC name is fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Namefluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
PubChem CID144625647
Molecular FormulaC14H15FO4
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Namefluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
SMILESCCC1(CC(=O)OF)CCc2cc(O)ccc2C1=O
InChIInChI=1S/C14H15FO4/c1-2-14(8-12(17)19-15)6-5-9-7-10(16)3-4-11(9)13(14)18/h3-4,7,16H,2,5-6,8H2,1H3
InChIKeyYKTZNXWDCMSQHJ-UHFFFAOYSA-N
XLogP2.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
CID 118477298
2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid
CID 134828517
ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915
ethyl 2-[6-(4-amino-2-chlorophenyl)-2-ethyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
CID 89239936
methyl 6,6-diethyl-5-oxo-7,8-dihydronaphthalene-2-carboxylate
CID 102085766
ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
CID 118477288
ethyl 2-[1-oxo-2-(2,2,2-trifluoroethyl)-6-(trifluoromethylsulfonyloxy)-3,4-dihydronaphthalen-2-yl]acetate
CID 89239979
ethyl 2-[2-ethyl-1-oxo-6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-3,4-dihydronaphthalen-2-yl]acetate
CID 71063109
2-[2-ethyl-6-[4-[(4-methoxyphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetic acid
CID 71061696
2-[6-[4-[(4-chlorophenyl)carbamoylamino]-3-fluorophenyl]-2-ethyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetic acid
CID 71061458
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
ethyl 2-[1-oxo-6-[4-(phenylcarbamoylamino)phenyl]-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate
CID 71063101

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate?
The IUPAC name of fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate (CID 144625647) is fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate.
What is the SMILES notation for fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate?
The canonical SMILES for fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate is CCC1(CC(=O)OF)CCc2cc(O)ccc2C1=O.
What is the InChIKey of fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate?
The InChIKey is YKTZNXWDCMSQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO4/c1-2-14(8-12(17)19-15)6-5-9-7-10(16)3-4-11(9)13(14)18/h3-4,7,16H,2,5-6,8H2,1H3.
What are the key properties of fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate?
fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate has a molecular weight of 266.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate is sourced from PubChem (CID 144625647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).