ethyl 2-fluoro-2-(furan-3-yl)acetate

C8H9FO3 — CID 79366156

IUPACethyl 2-fluoro-2-(furan-3-yl)acetate
SMILESCCOC(=O)C(F)c1ccoc1
InChIInChI=1S/C8H9FO3/c1-2-12-8(10)7(9)6-3-4-11-5-6/h3-5,7H,2H2,1H3
InChIKeyPIKUZJABNDDYEZ-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.85
Rot. Bonds3

About ethyl 2-fluoro-2-(furan-3-yl)acetate

ethyl 2-fluoro-2-(furan-3-yl)acetate (PubChem CID 79366156) has the molecular formula C8H9FO3 and a molecular weight of 172.15 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(furan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(furan-3-yl)acetate
PubChem CID79366156
Molecular FormulaC8H9FO3
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Nameethyl 2-fluoro-2-(furan-3-yl)acetate
SMILESCCOC(=O)C(F)c1ccoc1
InChIInChI=1S/C8H9FO3/c1-2-12-8(10)7(9)6-3-4-11-5-6/h3-5,7H,2H2,1H3
InChIKeyPIKUZJABNDDYEZ-UHFFFAOYSA-N
XLogP1.85
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate
CID 171865500
ethyl 2-fluoro-2-(4-methylphenyl)acetate
CID 15712195
[(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium
CID 7015544
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate
CID 125041350
ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate
CID 79367067
ethyl 2-fluoro-2-(4-nitrosophenyl)acetate
CID 174499307
ethyl 2-fluoro-2-(4-phenylphenyl)acetate
CID 21405824
2-(furan-3-yl)propanamide
CID 140988515
ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate
CID 79366877
(1R)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130986923
ethyl 2-fluoro-2-(4-nitrophenyl)acetate
CID 132529905

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(furan-3-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(furan-3-yl)acetate (CID 79366156) is ethyl 2-fluoro-2-(furan-3-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(furan-3-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(furan-3-yl)acetate is CCOC(=O)C(F)c1ccoc1.
What is the InChIKey of ethyl 2-fluoro-2-(furan-3-yl)acetate?
The InChIKey is PIKUZJABNDDYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3/c1-2-12-8(10)7(9)6-3-4-11-5-6/h3-5,7H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(furan-3-yl)acetate?
ethyl 2-fluoro-2-(furan-3-yl)acetate has a molecular weight of 172.15 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(furan-3-yl)acetate is sourced from PubChem (CID 79366156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).