ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate

C16H17FO2 — CID 155818749

IUPACethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
SMILESCCOC(=O)[C@](C)(CF)c1ccc2ccccc2c1
InChIInChI=1S/C16H17FO2/c1-3-19-15(18)16(2,11-17)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,3,11H2,1-2H3/t16-/m1/s1
InChIKeyNBTNXSKJKZAKTG-MRXNPFEDSA-N
MW260.31 g/mol
LogP3.63
Rot. Bonds4

About ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate

ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate (PubChem CID 155818749) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
PubChem CID155818749
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Nameethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
SMILESCCOC(=O)[C@](C)(CF)c1ccc2ccccc2c1
InChIInChI=1S/C16H17FO2/c1-3-19-15(18)16(2,11-17)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,3,11H2,1-2H3/t16-/m1/s1
InChIKeyNBTNXSKJKZAKTG-MRXNPFEDSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
CID 117049792
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
CID 70225025
ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate
CID 117048785
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxobutan-2-yl)sulfanyl-2-naphthalen-2-ylbutanoate
CID 70222692
ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate
CID 101110607
ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate
CID 66813687
ethyl 2-formyl-2-naphthalen-2-ylpent-4-enoate
CID 122202564
anthracene;ethane;ethyl 2,2,3-trimethylbutanoate
CID 164954844
ethyl (3R)-3-amino-2,2-difluoro-3-naphthalen-2-ylpropanoate;hydrochloride
CID 171240057
diethyl 2,2-bis(naphthalen-2-ylmethyl)propanedioate
CID 135347063
2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride
CID 117048269

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate?
The IUPAC name of ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate (CID 155818749) is ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate.
What is the SMILES notation for ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate?
The canonical SMILES for ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate is CCOC(=O)[C@](C)(CF)c1ccc2ccccc2c1.
What is the InChIKey of ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate?
The InChIKey is NBTNXSKJKZAKTG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17FO2/c1-3-19-15(18)16(2,11-17)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,3,11H2,1-2H3/t16-/m1/s1.
What are the key properties of ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate?
ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate has a molecular weight of 260.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate is sourced from PubChem (CID 155818749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).