ethyl 5-fluoro-2-propan-2-yloxybenzoate

C12H15FO3 — CID 82551429

IUPACethyl 5-fluoro-2-propan-2-yloxybenzoate
SMILESCCOC(=O)c1cc(F)ccc1OC(C)C
InChIInChI=1S/C12H15FO3/c1-4-15-12(14)10-7-9(13)5-6-11(10)16-8(2)3/h5-8H,4H2,1-3H3
InChIKeyQWJXTGDUXKSOOD-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.79
Rot. Bonds4

About ethyl 5-fluoro-2-propan-2-yloxybenzoate

ethyl 5-fluoro-2-propan-2-yloxybenzoate (PubChem CID 82551429) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is ethyl 5-fluoro-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Nameethyl 5-fluoro-2-propan-2-yloxybenzoate
PubChem CID82551429
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Nameethyl 5-fluoro-2-propan-2-yloxybenzoate
SMILESCCOC(=O)c1cc(F)ccc1OC(C)C
InChIInChI=1S/C12H15FO3/c1-4-15-12(14)10-7-9(13)5-6-11(10)16-8(2)3/h5-8H,4H2,1-3H3
InChIKeyQWJXTGDUXKSOOD-UHFFFAOYSA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,3-difluoro-4-propan-2-yloxybenzoate
CID 163198291
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82268290
2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
CID 91882242
ethyl 4-chloro-2-propan-2-yloxybenzoate
CID 164894970
1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone
CID 103488735
ethyl 5-(2-chloropropanoyl)-2-(difluoromethoxy)benzoate
CID 134645004
ethyl 5-fluoro-2-formylbenzoate
CID 124705480
propyl 5-fluoro-2-methoxybenzoate
CID 78846828
2-(2-acetyl-4-fluorophenoxy)propanamide
CID 78906193
ethyl 2-ethylsulfanyl-4-fluorobenzoate
CID 91875883
2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate
CID 69124983

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2-propan-2-yloxybenzoate?
The IUPAC name of ethyl 5-fluoro-2-propan-2-yloxybenzoate (CID 82551429) is ethyl 5-fluoro-2-propan-2-yloxybenzoate.
What is the SMILES notation for ethyl 5-fluoro-2-propan-2-yloxybenzoate?
The canonical SMILES for ethyl 5-fluoro-2-propan-2-yloxybenzoate is CCOC(=O)c1cc(F)ccc1OC(C)C.
What is the InChIKey of ethyl 5-fluoro-2-propan-2-yloxybenzoate?
The InChIKey is QWJXTGDUXKSOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-4-15-12(14)10-7-9(13)5-6-11(10)16-8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 5-fluoro-2-propan-2-yloxybenzoate?
ethyl 5-fluoro-2-propan-2-yloxybenzoate has a molecular weight of 226.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2-propan-2-yloxybenzoate is sourced from PubChem (CID 82551429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).