(2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate

C14H6F6O2 — CID 154723270

IUPAC(2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H6F6O2/c15-7-4-2-1-3-6(7)5-8(21)22-14-12(19)10(17)9(16)11(18)13(14)20/h1-4H,5H2
InChIKeyCKVXPNIFCBAJTJ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.67
Rot. Bonds3

About (2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate

(2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate (PubChem CID 154723270) has the molecular formula C14H6F6O2 and a molecular weight of 320.19 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate
PubChem CID154723270
Molecular FormulaC14H6F6O2
Molecular Weight320.19 g/mol
Exact Mass320.03
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H6F6O2/c15-7-4-2-1-3-6(7)5-8(21)22-14-12(19)10(17)9(16)11(18)13(14)20/h1-4H,5H2
InChIKeyCKVXPNIFCBAJTJ-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

fluoro 2-(2-fluorophenyl)acetate
CID 143971314
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
(1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate
CID 7918557
[4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate
CID 23737434
(2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-fluorophenyl)acetate
CID 8624307
(2,3,4,5,6-pentafluorophenyl) 6-oxo-7-phenylheptanoate
CID 138517790
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
(2,3,4,5,6-pentafluorophenyl) 2-thiophen-3-ylacetate
CID 10470503
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
cyclohexyl 2-(2-fluorophenyl)acetate
CID 78840084
propan-2-yl 3-(2-fluorophenyl)-2-oxopropanoate
CID 18370977
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate (CID 154723270) is (2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate is O=C(Cc1ccccc1F)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate?
The InChIKey is CKVXPNIFCBAJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6O2/c15-7-4-2-1-3-6(7)5-8(21)22-14-12(19)10(17)9(16)11(18)13(14)20/h1-4H,5H2.
What are the key properties of (2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate?
(2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate has a molecular weight of 320.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 154723270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).