fluoro 2-(3-fluorophenyl)acetate

C8H6F2O2 — CID 144594413

IUPACfluoro 2-(3-fluorophenyl)acetate
SMILESO=C(Cc1cccc(F)c1)OF
InChIInChI=1S/C8H6F2O2/c9-7-3-1-2-6(4-7)5-8(11)12-10/h1-4H,5H2
InChIKeyQYLMSEBFGFERLA-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.80
Rot. Bonds2

About fluoro 2-(3-fluorophenyl)acetate

fluoro 2-(3-fluorophenyl)acetate (PubChem CID 144594413) has the molecular formula C8H6F2O2 and a molecular weight of 172.13 g/mol. Its IUPAC name is fluoro 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Namefluoro 2-(3-fluorophenyl)acetate
PubChem CID144594413
Molecular FormulaC8H6F2O2
Molecular Weight172.13 g/mol
Exact Mass172.03
IUPAC Namefluoro 2-(3-fluorophenyl)acetate
SMILESO=C(Cc1cccc(F)c1)OF
InChIInChI=1S/C8H6F2O2/c9-7-3-1-2-6(4-7)5-8(11)12-10/h1-4H,5H2
InChIKeyQYLMSEBFGFERLA-UHFFFAOYSA-N
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl 2-(3-fluorophenyl)acetate
CID 121272908
propyl 2-(3-fluorophenyl)acetate
CID 43389577
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590359
N-(2-amino-2-oxoethoxy)-2-(3-fluorophenyl)acetamide
CID 112551000
[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589788
1-(3-fluorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 103455309
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
3-amino-1-(3-fluorophenyl)hex-5-yn-2-one
CID 116606473
1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one
CID 116595869
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
3-(3-fluorophenyl)-2-oxopropane-1-sulfonic acid
CID 115038716

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(3-fluorophenyl)acetate?
The IUPAC name of fluoro 2-(3-fluorophenyl)acetate (CID 144594413) is fluoro 2-(3-fluorophenyl)acetate.
What is the SMILES notation for fluoro 2-(3-fluorophenyl)acetate?
The canonical SMILES for fluoro 2-(3-fluorophenyl)acetate is O=C(Cc1cccc(F)c1)OF.
What is the InChIKey of fluoro 2-(3-fluorophenyl)acetate?
The InChIKey is QYLMSEBFGFERLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2/c9-7-3-1-2-6(4-7)5-8(11)12-10/h1-4H,5H2.
What are the key properties of fluoro 2-(3-fluorophenyl)acetate?
fluoro 2-(3-fluorophenyl)acetate has a molecular weight of 172.13 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 144594413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).