propan-2-yl 2-(3,4-difluorophenoxy)acetate

C11H12F2O3 — CID 60730764

IUPACpropan-2-yl 2-(3,4-difluorophenoxy)acetate
SMILESCC(C)OC(=O)COc1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2O3/c1-7(2)16-11(14)6-15-8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3
InChIKeyLKUDYCWMMBQENU-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.30
Rot. Bonds4

About propan-2-yl 2-(3,4-difluorophenoxy)acetate

propan-2-yl 2-(3,4-difluorophenoxy)acetate (PubChem CID 60730764) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is propan-2-yl 2-(3,4-difluorophenoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3,4-difluorophenoxy)acetate
PubChem CID60730764
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Namepropan-2-yl 2-(3,4-difluorophenoxy)acetate
SMILESCC(C)OC(=O)COc1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2O3/c1-7(2)16-11(14)6-15-8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3
InChIKeyLKUDYCWMMBQENU-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-phenoxyacetate
CID 11367560
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
propan-2-yl 2-(4-formylphenoxy)acetate
CID 23274286
propan-2-yl 2-(4-phenylphenoxy)acetate
CID 2791913
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
propan-2-yl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 882841
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate
CID 54772837
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2788108
2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid
CID 126565610
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3,4-difluorophenoxy)acetate?
The IUPAC name of propan-2-yl 2-(3,4-difluorophenoxy)acetate (CID 60730764) is propan-2-yl 2-(3,4-difluorophenoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(3,4-difluorophenoxy)acetate?
The canonical SMILES for propan-2-yl 2-(3,4-difluorophenoxy)acetate is CC(C)OC(=O)COc1ccc(F)c(F)c1.
What is the InChIKey of propan-2-yl 2-(3,4-difluorophenoxy)acetate?
The InChIKey is LKUDYCWMMBQENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-7(2)16-11(14)6-15-8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3.
What are the key properties of propan-2-yl 2-(3,4-difluorophenoxy)acetate?
propan-2-yl 2-(3,4-difluorophenoxy)acetate has a molecular weight of 230.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3,4-difluorophenoxy)acetate is sourced from PubChem (CID 60730764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).