ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate

C13H13FO2 — CID 11127798

IUPACethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate
SMILESCCOC(=O)C1CC=Cc2ccc(F)cc21
InChIInChI=1S/C13H13FO2/c1-2-16-13(15)11-5-3-4-9-6-7-10(14)8-12(9)11/h3-4,6-8,11H,2,5H2,1H3
InChIKeyRBWMQDJZHKQQHA-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.89
Rot. Bonds2

About ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate

ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate (PubChem CID 11127798) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate
PubChem CID11127798
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Nameethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate
SMILESCCOC(=O)C1CC=Cc2ccc(F)cc21
InChIInChI=1S/C13H13FO2/c1-2-16-13(15)11-5-3-4-9-6-7-10(14)8-12(9)11/h3-4,6-8,11H,2,5H2,1H3
InChIKeyRBWMQDJZHKQQHA-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-1,2-dihydronaphthalen-1-ol
CID 130149519
ethyl 2-cyclopropyl-4-fluorobenzoate
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CID 15368519
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ethyl 5,6-difluoro-3-oxo-1,2-dihydroindene-2-carboxylate
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ethyl 1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylate
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CID 10635327

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate?
The IUPAC name of ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate (CID 11127798) is ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate?
The canonical SMILES for ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate is CCOC(=O)C1CC=Cc2ccc(F)cc21.
What is the InChIKey of ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate?
The InChIKey is RBWMQDJZHKQQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c1-2-16-13(15)11-5-3-4-9-6-7-10(14)8-12(9)11/h3-4,6-8,11H,2,5H2,1H3.
What are the key properties of ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate?
ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate has a molecular weight of 220.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate is sourced from PubChem (CID 11127798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).