ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate

C14H17FO2 — CID 86641632

IUPACethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
SMILESCCOC(=O)CC1CCCc2c(F)cccc21
InChIInChI=1S/C14H17FO2/c1-2-17-14(16)9-10-5-3-7-12-11(10)6-4-8-13(12)15/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyYOTJVMWJMRSGAT-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.20
Rot. Bonds3

About ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate

ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate (PubChem CID 86641632) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
PubChem CID86641632
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
SMILESCCOC(=O)CC1CCCc2c(F)cccc21
InChIInChI=1S/C14H17FO2/c1-2-17-14(16)9-10-5-3-7-12-11(10)6-4-8-13(12)15/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyYOTJVMWJMRSGAT-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate
CID 23549532
2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
CID 112546957
ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate
CID 155893825
1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine
CID 83910622
5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 83685405
ethyl 2-[(1S)-2-oxocyclopentyl]acetate
CID 1268264
ethyl 2-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)acetate
CID 165145944
ethyl 2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 143248362
2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
CID 84620948
ethyl 2-(1,3,4,5-tetrahydro-2-benzoxepin-5-yl)acetate
CID 165145663
ethyl 2-[4-bromo-5-(methylamino)-2,3-dihydro-1H-inden-1-yl]acetate
CID 68856826
ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 58565948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate?
The IUPAC name of ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate (CID 86641632) is ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate is CCOC(=O)CC1CCCc2c(F)cccc21.
What is the InChIKey of ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate?
The InChIKey is YOTJVMWJMRSGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-2-17-14(16)9-10-5-3-7-12-11(10)6-4-8-13(12)15/h4,6,8,10H,2-3,5,7,9H2,1H3.
What are the key properties of ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate?
ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate has a molecular weight of 236.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate is sourced from PubChem (CID 86641632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).