2-fluoroethyl 2-naphthalen-2-yloxyacetate

C14H13FO3 — CID 20403

IUPAC2-fluoroethyl 2-naphthalen-2-yloxyacetate
SMILESO=C(COc1ccc2ccccc2c1)OCCF
InChIInChI=1S/C14H13FO3/c15-7-8-17-14(16)10-18-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2
InChIKeyDMMAFNBTYZUBLN-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.73
Rot. Bonds5

About 2-fluoroethyl 2-naphthalen-2-yloxyacetate

2-fluoroethyl 2-naphthalen-2-yloxyacetate (PubChem CID 20403) has the molecular formula C14H13FO3 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-fluoroethyl 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name2-fluoroethyl 2-naphthalen-2-yloxyacetate
PubChem CID20403
Molecular FormulaC14H13FO3
Molecular Weight248.25 g/mol
Exact Mass248.08
IUPAC Name2-fluoroethyl 2-naphthalen-2-yloxyacetate
SMILESO=C(COc1ccc2ccccc2c1)OCCF
InChIInChI=1S/C14H13FO3/c15-7-8-17-14(16)10-18-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2
InChIKeyDMMAFNBTYZUBLN-UHFFFAOYSA-N
XLogP2.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-naphthalen-2-yloxyacetate?
The IUPAC name of 2-fluoroethyl 2-naphthalen-2-yloxyacetate (CID 20403) is 2-fluoroethyl 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for 2-fluoroethyl 2-naphthalen-2-yloxyacetate?
The canonical SMILES for 2-fluoroethyl 2-naphthalen-2-yloxyacetate is O=C(COc1ccc2ccccc2c1)OCCF.
What is the InChIKey of 2-fluoroethyl 2-naphthalen-2-yloxyacetate?
The InChIKey is DMMAFNBTYZUBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3/c15-7-8-17-14(16)10-18-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2.
What are the key properties of 2-fluoroethyl 2-naphthalen-2-yloxyacetate?
2-fluoroethyl 2-naphthalen-2-yloxyacetate has a molecular weight of 248.25 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 20403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).