2-fluoro-3-hydroxy-4-phenylpentanoic acid

C11H13FO3 — CID 79366366

IUPAC2-fluoro-3-hydroxy-4-phenylpentanoic acid
SMILESCC(c1ccccc1)C(O)C(F)C(=O)O
InChIInChI=1S/C11H13FO3/c1-7(8-5-3-2-4-6-8)10(13)9(12)11(14)15/h2-7,9-10,13H,1H3,(H,14,15)
InChIKeyJMMQEKRPVRDPRR-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.57
Rot. Bonds4

About 2-fluoro-3-hydroxy-4-phenylpentanoic acid

2-fluoro-3-hydroxy-4-phenylpentanoic acid (PubChem CID 79366366) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-4-phenylpentanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-4-phenylpentanoic acid
PubChem CID79366366
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-fluoro-3-hydroxy-4-phenylpentanoic acid
SMILESCC(c1ccccc1)C(O)C(F)C(=O)O
InChIInChI=1S/C11H13FO3/c1-7(8-5-3-2-4-6-8)10(13)9(12)11(14)15/h2-7,9-10,13H,1H3,(H,14,15)
InChIKeyJMMQEKRPVRDPRR-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-phenylbutanoic acid
CID 29759
acetic acid;2-phenylpropane-1,1-diol
CID 57375719
3-fluorobutan-2-ylbenzene
CID 159211068
ethyl (2R,3S)-2-fluoro-3-phenylbutanoate
CID 102075314
ethyl (2R,3R)-2-fluoro-3-phenylbutanoate
CID 102075316
(2S,3R,4R)-4-methyl-2-phenylhex-5-yn-3-ol
CID 56957625
2-acetyl-3-phenylbutanoic acid
CID 12561389
3-(3-bromophenyl)-2-fluorobutanoic acid
CID 130820150
(2S)-2-fluoro-2-phenylacetic acid
CID 7003723
(2S,3R,4R,6R,7R)-3,7-dihydroxy-4,6-dimethyl-2-phenylnonan-5-one
CID 15891028
(2R)-3-phenyl-2-(trifluoromethylsulfonyloxy)butanoic acid
CID 118106737
ethyl 2-amino-3-hydroxy-4-phenylpentanoate
CID 66205533

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-4-phenylpentanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-4-phenylpentanoic acid (CID 79366366) is 2-fluoro-3-hydroxy-4-phenylpentanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-4-phenylpentanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-4-phenylpentanoic acid is CC(c1ccccc1)C(O)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-hydroxy-4-phenylpentanoic acid?
The InChIKey is JMMQEKRPVRDPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-7(8-5-3-2-4-6-8)10(13)9(12)11(14)15/h2-7,9-10,13H,1H3,(H,14,15).
What are the key properties of 2-fluoro-3-hydroxy-4-phenylpentanoic acid?
2-fluoro-3-hydroxy-4-phenylpentanoic acid has a molecular weight of 212.22 g/mol, XLogP of 1.57, 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-4-phenylpentanoic acid is sourced from PubChem (CID 79366366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).