ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate

C14H19FO3 — CID 79366919

IUPACethyl 3-benzyl-2-fluoro-3-hydroxypentanoate
SMILESCCOC(=O)C(F)C(O)(CC)Cc1ccccc1
InChIInChI=1S/C14H19FO3/c1-3-14(17,12(15)13(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12,17H,3-4,10H2,1-2H3
InChIKeyQIZYNCQYQJECGC-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.27
Rot. Bonds6

About ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate

ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate (PubChem CID 79366919) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate.

Molecular Properties

Compound Nameethyl 3-benzyl-2-fluoro-3-hydroxypentanoate
PubChem CID79366919
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Nameethyl 3-benzyl-2-fluoro-3-hydroxypentanoate
SMILESCCOC(=O)C(F)C(O)(CC)Cc1ccccc1
InChIInChI=1S/C14H19FO3/c1-3-14(17,12(15)13(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12,17H,3-4,10H2,1-2H3
InChIKeyQIZYNCQYQJECGC-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate
CID 102079184
ethyl 2-amino-2-benzylbutanoate
CID 10857051
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
2,2-dibenzyl-3-ethoxy-3-oxopropanoic acid
CID 14551025
diethyl 2-benzyl-2-(1,1,2,2-tetrafluoroethylsulfanyl)propanedioate
CID 162434655
ethyl (2S)-2-amino-2-benzyl-3,3,3-trifluoropropanoate
CID 56840522
ethyl 3-(2-bromophenyl)-2-fluoro-3-hydroxybutanoate
CID 79366646
ethyl 2-fluoro-3-hydroxy-3-methylpentanoate
CID 13334105
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
ethyl (2S)-2-fluoro-3-hydroxy-3-methylbutanoate
CID 124511842
2-ethoxycarbonyl-4-hydroxy-4-phenylpentanoic acid
CID 113360333
ethyl 2-benzyl-3,3-dimethoxy-2-phenylpropanoate
CID 162398190

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate?
The IUPAC name of ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate (CID 79366919) is ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate.
What is the SMILES notation for ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate?
The canonical SMILES for ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate is CCOC(=O)C(F)C(O)(CC)Cc1ccccc1.
What is the InChIKey of ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate?
The InChIKey is QIZYNCQYQJECGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-3-14(17,12(15)13(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12,17H,3-4,10H2,1-2H3.
What are the key properties of ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate?
ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate has a molecular weight of 254.30 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate is sourced from PubChem (CID 79366919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).