(2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid

C15H18F2O4 — CID 159935988

IUPAC(2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid
SMILESCC[C@](C)(CC(=O)Cc1ccc(OC(F)F)cc1)C(=O)O
InChIInChI=1S/C15H18F2O4/c1-3-15(2,13(19)20)9-11(18)8-10-4-6-12(7-5-10)21-14(16)17/h4-7,14H,3,8-9H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyOAGGPXXEHBCZCG-OAHLLOKOSA-N
MW300.30 g/mol
LogP3.29
Rot. Bonds8

About (2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid

(2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid (PubChem CID 159935988) has the molecular formula C15H18F2O4 and a molecular weight of 300.30 g/mol. Its IUPAC name is (2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid
PubChem CID159935988
Molecular FormulaC15H18F2O4
Molecular Weight300.30 g/mol
Exact Mass300.12
IUPAC Name(2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid
SMILESCC[C@](C)(CC(=O)Cc1ccc(OC(F)F)cc1)C(=O)O
InChIInChI=1S/C15H18F2O4/c1-3-15(2,13(19)20)9-11(18)8-10-4-6-12(7-5-10)21-14(16)17/h4-7,14H,3,8-9H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyOAGGPXXEHBCZCG-OAHLLOKOSA-N
XLogP3.29
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-[4-(difluoromethoxy)-2-fluorophenyl]-2-ethyl-2-methyl-4-oxopentanoic acid
CID 158172797
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978
2-[4-(difluoromethoxy)phenyl]-N-(1,1-diphenylethyl)acetamide
CID 56522955
4-[[4-(difluoromethoxy)phenyl]methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302546
3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid
CID 62395470
2-[4-(difluoromethoxy)phenyl]-1-phenylethanone
CID 86101125
butyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 113221190
2-[4-(difluoromethoxy)phenyl]-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115870205
2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid
CID 119211861
2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoic acid
CID 43753895
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119598620

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid?
The IUPAC name of (2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid (CID 159935988) is (2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid.
What is the SMILES notation for (2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid?
The canonical SMILES for (2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid is CC[C@](C)(CC(=O)Cc1ccc(OC(F)F)cc1)C(=O)O.
What is the InChIKey of (2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid?
The InChIKey is OAGGPXXEHBCZCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18F2O4/c1-3-15(2,13(19)20)9-11(18)8-10-4-6-12(7-5-10)21-14(16)17/h4-7,14H,3,8-9H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid?
(2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid has a molecular weight of 300.30 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[4-(difluoromethoxy)phenyl]-2-ethyl-2-methyl-4-oxopentanoic acid is sourced from PubChem (CID 159935988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).