[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate

C19H15F2NO5 — CID 9140965

IUPAC[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H15F2NO5/c1-12(18(24)14-4-8-16(9-5-14)27-19(20)21)26-17(23)11-25-15-6-2-13(10-22)3-7-15/h2-9,12,19H,11H2,1H3/t12-/m1/s1
InChIKeyUIDRUHQRYFMRMD-GFCCVEGCSA-N
MW375.33 g/mol
LogP3.35
Rot. Bonds8

About [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate

[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate (PubChem CID 9140965) has the molecular formula C19H15F2NO5 and a molecular weight of 375.33 g/mol. Its IUPAC name is [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
PubChem CID9140965
Molecular FormulaC19H15F2NO5
Molecular Weight375.33 g/mol
Exact Mass375.09
IUPAC Name[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H15F2NO5/c1-12(18(24)14-4-8-16(9-5-14)27-19(20)21)26-17(23)11-25-15-6-2-13(10-22)3-7-15/h2-9,12,19H,11H2,1H3/t12-/m1/s1
InChIKeyUIDRUHQRYFMRMD-GFCCVEGCSA-N
XLogP3.35
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9141078
4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7818685
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983960
[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9141040
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 7843093
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-cyanophenoxy)acetate
CID 7842738
4-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7503349
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 2078238
4-[4-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 7670579
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-cyanobenzoate
CID 47003938

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate (CID 9140965) is [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate is C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate?
The InChIKey is UIDRUHQRYFMRMD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H15F2NO5/c1-12(18(24)14-4-8-16(9-5-14)27-19(20)21)26-17(23)11-25-15-6-2-13(10-22)3-7-15/h2-9,12,19H,11H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate?
[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate has a molecular weight of 375.33 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 9140965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).