2-fluoro-2-phenoxypentanoic acid

C11H13FO3 — CID 70113612

IUPAC2-fluoro-2-phenoxypentanoic acid
SMILESCCCC(F)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C11H13FO3/c1-2-8-11(12,10(13)14)15-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14)
InChIKeyOMNNQENQNGWBGE-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.62
Rot. Bonds5

About 2-fluoro-2-phenoxypentanoic acid

2-fluoro-2-phenoxypentanoic acid (PubChem CID 70113612) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-fluoro-2-phenoxypentanoic acid.

Molecular Properties

Compound Name2-fluoro-2-phenoxypentanoic acid
PubChem CID70113612
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-fluoro-2-phenoxypentanoic acid
SMILESCCCC(F)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C11H13FO3/c1-2-8-11(12,10(13)14)15-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14)
InChIKeyOMNNQENQNGWBGE-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pentyl-2-phenoxyheptanoic acid
CID 150989456
2,2-diphenoxybutanoic acid
CID 159827255
2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid
CID 69123434
2-phenoxy-2-phenylbutanoic acid
CID 20567350
2,2-dibromo-2-phenoxyacetic acid
CID 154192322
2-phenoxy-2-propoxyhexadecanoic acid
CID 175401556
anisole;2,2,2-trifluoroacetic acid
CID 66633105
2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid
CID 43651840
2-(1,1-diphenoxybutyl)phenol
CID 66866351
2-phenoxy-2-phenylbutanoic acid;dihydrate
CID 20567349
3-phenoxyhex-1-en-3-ol
CID 69380942
propyl N-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)carbamate
CID 23238709

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenoxypentanoic acid?
The IUPAC name of 2-fluoro-2-phenoxypentanoic acid (CID 70113612) is 2-fluoro-2-phenoxypentanoic acid.
What is the SMILES notation for 2-fluoro-2-phenoxypentanoic acid?
The canonical SMILES for 2-fluoro-2-phenoxypentanoic acid is CCCC(F)(Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-fluoro-2-phenoxypentanoic acid?
The InChIKey is OMNNQENQNGWBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-2-8-11(12,10(13)14)15-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-2-phenoxypentanoic acid?
2-fluoro-2-phenoxypentanoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenoxypentanoic acid is sourced from PubChem (CID 70113612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).