2-fluoro-3-hydroxy-2-phenylpentanoic acid

C11H13FO3 — CID 19860351

IUPAC2-fluoro-3-hydroxy-2-phenylpentanoic acid
SMILESCCC(O)C(F)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H13FO3/c1-2-9(13)11(12,10(14)15)8-6-4-3-5-7-8/h3-7,9,13H,2H2,1H3,(H,14,15)
InChIKeyIURKTNNKVWOJNT-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.71
Rot. Bonds4

About 2-fluoro-3-hydroxy-2-phenylpentanoic acid

2-fluoro-3-hydroxy-2-phenylpentanoic acid (PubChem CID 19860351) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-2-phenylpentanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-2-phenylpentanoic acid
PubChem CID19860351
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-fluoro-3-hydroxy-2-phenylpentanoic acid
SMILESCCC(O)C(F)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H13FO3/c1-2-9(13)11(12,10(14)15)8-6-4-3-5-7-8/h3-7,9,13H,2H2,1H3,(H,14,15)
InChIKeyIURKTNNKVWOJNT-UHFFFAOYSA-N
XLogP1.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-fluoro-2-phenylbutanoic acid
CID 67114338
3-ethyl-2-methyl-2-phenylpentanoic acid
CID 158698282
4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
CID 146082222
6,6-difluoro-6-phenylhexan-3-ol
CID 116790314
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
2-methoxy-2,2-diphenylacetic acid;pentan-3-amine
CID 173385536
lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride
CID 174967816
2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730656
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
benzoic acid;2,2-dimethylpentane-1,3-diol
CID 66725246
2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
CID 79426124

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-2-phenylpentanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-2-phenylpentanoic acid (CID 19860351) is 2-fluoro-3-hydroxy-2-phenylpentanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-2-phenylpentanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-2-phenylpentanoic acid is CCC(O)C(F)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-fluoro-3-hydroxy-2-phenylpentanoic acid?
The InChIKey is IURKTNNKVWOJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-2-9(13)11(12,10(14)15)8-6-4-3-5-7-8/h3-7,9,13H,2H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-3-hydroxy-2-phenylpentanoic acid?
2-fluoro-3-hydroxy-2-phenylpentanoic acid has a molecular weight of 212.22 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-2-phenylpentanoic acid is sourced from PubChem (CID 19860351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).