ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane

C11H11F5O3 — CID 143061271

IUPACethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane
SMILESCCOC(=O)Oc1c(C)c(F)c(F)c(F)c1F.CF
InChIInChI=1S/C10H8F4O3.CH3F/c1-3-16-10(15)17-9-4(2)5(11)6(12)7(13)8(9)14;1-2/h3H2,1-2H3;1H3
InChIKeyYBYVGPALTAQTJW-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.67
Rot. Bonds2

About ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane

ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane (PubChem CID 143061271) has the molecular formula C11H11F5O3 and a molecular weight of 286.20 g/mol. Its IUPAC name is ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane.

Molecular Properties

Compound Nameethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane
PubChem CID143061271
Molecular FormulaC11H11F5O3
Molecular Weight286.20 g/mol
Exact Mass286.06
IUPAC Nameethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane
SMILESCCOC(=O)Oc1c(C)c(F)c(F)c(F)c1F.CF
InChIInChI=1S/C10H8F4O3.CH3F/c1-3-16-10(15)17-9-4(2)5(11)6(12)7(13)8(9)14;1-2/h3H2,1-2H3;1H3
InChIKeyYBYVGPALTAQTJW-UHFFFAOYSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethyl (2,3,4,5,6-pentafluorophenyl) carbonate
CID 171836152
propane;(2,3,4,5-tetrafluoro-6-methylphenyl) acetate
CID 145302022
methyl (2,3,5,6-tetrafluoro-4-methylphenyl) carbonate
CID 118176061
(1,2,2,6,6-pentamethyl-4-oxocyclohexyl)methyl (2,3,4,6-tetrafluoro-5-methylphenyl) carbonate
CID 58498480
methane;(1,2,2,6,6-pentamethyl-4-oxocyclohexyl)methyl (2,3,4,6-tetrafluoro-5-methylphenyl) carbonate
CID 160934582
bis(2,3,4,5,6-pentafluorophenyl) 2-ethylpropanedioate
CID 130209958
(5-amino-2,3,4-trifluorophenyl) ethyl carbonate
CID 86749657
(2,3,4,5-tetrafluoro-6-methylphenyl) 3-[2-(2-aminoethoxy)ethoxy]propanoate
CID 166479446
ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate
CID 4513854
bis(2,3,4,5,6-pentafluorophenyl) 2-propylpropanedioate
CID 130210024
ethyl [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl] carbonate
CID 90340996
(6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177802

Frequently Asked Questions

What is the IUPAC name of ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane?
The IUPAC name of ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane (CID 143061271) is ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane.
What is the SMILES notation for ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane?
The canonical SMILES for ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane is CCOC(=O)Oc1c(C)c(F)c(F)c(F)c1F.CF.
What is the InChIKey of ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane?
The InChIKey is YBYVGPALTAQTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O3.CH3F/c1-3-16-10(15)17-9-4(2)5(11)6(12)7(13)8(9)14;1-2/h3H2,1-2H3;1H3.
What are the key properties of ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane?
ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane has a molecular weight of 286.20 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane is sourced from PubChem (CID 143061271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).