5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid

C15H20F2O3 — CID 62933153

IUPAC5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid
SMILESCCOc1ccc(C(F)(F)CC(C)(C)CC(=O)O)cc1
InChIInChI=1S/C15H20F2O3/c1-4-20-12-7-5-11(6-8-12)15(16,17)10-14(2,3)9-13(18)19/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyCUWONKHMBXOBKE-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.07
Rot. Bonds7

About 5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid

5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid (PubChem CID 62933153) has the molecular formula C15H20F2O3 and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid
PubChem CID62933153
Molecular FormulaC15H20F2O3
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid
SMILESCCOc1ccc(C(F)(F)CC(C)(C)CC(=O)O)cc1
InChIInChI=1S/C15H20F2O3/c1-4-20-12-7-5-11(6-8-12)15(16,17)10-14(2,3)9-13(18)19/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyCUWONKHMBXOBKE-UHFFFAOYSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethoxyphenyl)-5,5-difluoropentanoic acid
CID 28931296
3-(4-ethoxyphenyl)-3-(ethylamino)butanoic acid
CID 65233871
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
CID 55139482
2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
CID 114990539
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
CID 139891574
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
4-(4-bromophenoxy)-3,3-dimethylbutanoic acid
CID 19031343

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid?
The IUPAC name of 5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid (CID 62933153) is 5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid.
What is the SMILES notation for 5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid?
The canonical SMILES for 5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid is CCOc1ccc(C(F)(F)CC(C)(C)CC(=O)O)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid?
The InChIKey is CUWONKHMBXOBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O3/c1-4-20-12-7-5-11(6-8-12)15(16,17)10-14(2,3)9-13(18)19/h5-8H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid?
5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid has a molecular weight of 286.32 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid is sourced from PubChem (CID 62933153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).