methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate

C14H11F3O2 — CID 162623015

IUPACmethyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate
SMILESCOC(=O)C(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C14H11F3O2/c1-19-13(18)12(14(15,16)17)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12H,1H3
InChIKeyVVMAELKXUULHHC-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.66
Rot. Bonds2

About methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate

methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate (PubChem CID 162623015) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate
PubChem CID162623015
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Namemethyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate
SMILESCOC(=O)C(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C14H11F3O2/c1-19-13(18)12(14(15,16)17)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12H,1H3
InChIKeyVVMAELKXUULHHC-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
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methyl 2-acetamido-2-naphthalen-2-ylacetate
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dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate
CID 134846640
3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride
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methyl 2-[amino(naphthalen-2-yl)methyl]butanoate
CID 116946047
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate
CID 116860560
methyl (2R)-2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 177394965
methyl 2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
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diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707

Frequently Asked Questions

What is the IUPAC name of methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate?
The IUPAC name of methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate (CID 162623015) is methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate is COC(=O)C(c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate?
The InChIKey is VVMAELKXUULHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-19-13(18)12(14(15,16)17)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12H,1H3.
What are the key properties of methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate?
methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate has a molecular weight of 268.23 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,3-trifluoro-2-naphthalen-2-ylpropanoate is sourced from PubChem (CID 162623015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).