2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid

C16H24F2O5Si — CID 88592938

IUPAC2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid
SMILESC[Si](C)(C)CCOCOC(C(=O)O)c1ccc(OCCF)cc1F
InChIInChI=1S/C16H24F2O5Si/c1-24(2,3)9-8-21-11-23-15(16(19)20)13-5-4-12(10-14(13)18)22-7-6-17/h4-5,10,15H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyAJJVBZCMHBOOCF-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.63
Rot. Bonds11

About 2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid

2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid (PubChem CID 88592938) has the molecular formula C16H24F2O5Si and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid
PubChem CID88592938
Molecular FormulaC16H24F2O5Si
Molecular Weight362.45 g/mol
Exact Mass362.14
IUPAC Name2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid
SMILESC[Si](C)(C)CCOCOC(C(=O)O)c1ccc(OCCF)cc1F
InChIInChI=1S/C16H24F2O5Si/c1-24(2,3)9-8-21-11-23-15(16(19)20)13-5-4-12(10-14(13)18)22-7-6-17/h4-5,10,15H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyAJJVBZCMHBOOCF-UHFFFAOYSA-N
XLogP3.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid
CID 124672506
(2R)-2-(2-trimethylsilylethoxymethoxy)propanoic acid
CID 10775311
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
2-amino-3-[5-(2-fluoroethoxy)-2-(fluoromethyl)phenyl]propanoic acid
CID 90345475
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
4-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-2-methylbutan-2-ol
CID 107718883
methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate
CID 107717592
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid?
The IUPAC name of 2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid (CID 88592938) is 2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid?
The canonical SMILES for 2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid is C[Si](C)(C)CCOCOC(C(=O)O)c1ccc(OCCF)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid?
The InChIKey is AJJVBZCMHBOOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O5Si/c1-24(2,3)9-8-21-11-23-15(16(19)20)13-5-4-12(10-14(13)18)22-7-6-17/h4-5,10,15H,6-9,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid?
2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid has a molecular weight of 362.45 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid is sourced from PubChem (CID 88592938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).