ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate

C14H18ClFO3 — CID 79357323

IUPACethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate
SMILESCCOC(=O)C(F)Oc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C14H18ClFO3/c1-5-18-14(17)13(16)19-12-6-9(4)11(15)7-10(12)8(2)3/h6-8,13H,5H2,1-4H3
InChIKeyBTCGXOIFXYBFHI-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.01
Rot. Bonds5

About ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate

ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate (PubChem CID 79357323) has the molecular formula C14H18ClFO3 and a molecular weight of 288.75 g/mol. Its IUPAC name is ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate
PubChem CID79357323
Molecular FormulaC14H18ClFO3
Molecular Weight288.75 g/mol
Exact Mass288.09
IUPAC Nameethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate
SMILESCCOC(=O)C(F)Oc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C14H18ClFO3/c1-5-18-14(17)13(16)19-12-6-9(4)11(15)7-10(12)8(2)3/h6-8,13H,5H2,1-4H3
InChIKeyBTCGXOIFXYBFHI-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide
CID 83047266
ethyl 2-(3-chloro-2-fluorophenoxy)-2-fluoroacetate
CID 116688472
ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate
CID 79356473
ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate
CID 79356641
3-amino-3-(5-chloro-2-ethoxy-4-methylphenyl)propanoic acid
CID 4021596
ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate
CID 107283157
ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate
CID 79356650
ethyl 2-(5-chloro-2,4-difluorophenyl)-3-oxopropanoate
CID 168860146
methyl 4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-ethylbut-2-enoate
CID 77100918
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine
CID 62354646
ethyl 2-(2-bromo-4-methylphenoxy)-2-fluoroacetate
CID 79357029
2-[5-chloro-2-(difluoromethoxy)-4-methylphenyl]acetic acid
CID 171005300

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate?
The IUPAC name of ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate (CID 79357323) is ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate is CCOC(=O)C(F)Oc1cc(C)c(Cl)cc1C(C)C.
What is the InChIKey of ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate?
The InChIKey is BTCGXOIFXYBFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO3/c1-5-18-14(17)13(16)19-12-6-9(4)11(15)7-10(12)8(2)3/h6-8,13H,5H2,1-4H3.
What are the key properties of ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate?
ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate has a molecular weight of 288.75 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate is sourced from PubChem (CID 79357323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).