ethyl 2,3-difluoro-4-propan-2-yloxybenzoate

C12H14F2O3 — CID 163198291

IUPACethyl 2,3-difluoro-4-propan-2-yloxybenzoate
SMILESCCOC(=O)c1ccc(OC(C)C)c(F)c1F
InChIInChI=1S/C12H14F2O3/c1-4-16-12(15)8-5-6-9(17-7(2)3)11(14)10(8)13/h5-7H,4H2,1-3H3
InChIKeyJZSRFGXJMGGNDD-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.93
Rot. Bonds4

About ethyl 2,3-difluoro-4-propan-2-yloxybenzoate

ethyl 2,3-difluoro-4-propan-2-yloxybenzoate (PubChem CID 163198291) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 2,3-difluoro-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Nameethyl 2,3-difluoro-4-propan-2-yloxybenzoate
PubChem CID163198291
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Nameethyl 2,3-difluoro-4-propan-2-yloxybenzoate
SMILESCCOC(=O)c1ccc(OC(C)C)c(F)c1F
InChIInChI=1S/C12H14F2O3/c1-4-16-12(15)8-5-6-9(17-7(2)3)11(14)10(8)13/h5-7H,4H2,1-3H3
InChIKeyJZSRFGXJMGGNDD-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-fluoro-2-propan-2-yloxybenzoate
CID 82551429
ethyl 3-(difluoromethoxy)-2,4-difluorobenzoate
CID 134644517
ethyl 4-chloro-2-propan-2-yloxybenzoate
CID 164894970
ethyl 4-chloro-2,3-difluorobenzoate
CID 46311295
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
ethyl 2-chloro-4-propan-2-yloxybenzoate
CID 82551782
ethyl 2,3-difluorobenzoate
CID 2761174
ethyl 4-amino-3-fluoro-2-methylbenzoate
CID 131583478
ethyl 3-amino-2-fluorobenzoate
CID 46311258
ethyl 2-amino-4-(difluoromethoxy)-3-hydroxybenzoate
CID 129074023
(2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate
CID 20705660
ethyl 3-cyano-2-fluoro-4-hydroxybenzoate
CID 131612782

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-difluoro-4-propan-2-yloxybenzoate?
The IUPAC name of ethyl 2,3-difluoro-4-propan-2-yloxybenzoate (CID 163198291) is ethyl 2,3-difluoro-4-propan-2-yloxybenzoate.
What is the SMILES notation for ethyl 2,3-difluoro-4-propan-2-yloxybenzoate?
The canonical SMILES for ethyl 2,3-difluoro-4-propan-2-yloxybenzoate is CCOC(=O)c1ccc(OC(C)C)c(F)c1F.
What is the InChIKey of ethyl 2,3-difluoro-4-propan-2-yloxybenzoate?
The InChIKey is JZSRFGXJMGGNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-4-16-12(15)8-5-6-9(17-7(2)3)11(14)10(8)13/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 2,3-difluoro-4-propan-2-yloxybenzoate?
ethyl 2,3-difluoro-4-propan-2-yloxybenzoate has a molecular weight of 244.24 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-difluoro-4-propan-2-yloxybenzoate is sourced from PubChem (CID 163198291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).