ethyl 2-fluoro-3-hydroxy-3-methylpentanoate

C8H15FO3 — CID 13334105

IUPACethyl 2-fluoro-3-hydroxy-3-methylpentanoate
SMILESCCOC(=O)C(F)C(C)(O)CC
InChIInChI=1S/C8H15FO3/c1-4-8(3,11)6(9)7(10)12-5-2/h6,11H,4-5H2,1-3H3
InChIKeyPIIFWLCJYMNGAH-UHFFFAOYSA-N
MW178.20 g/mol
LogP1.05
Rot. Bonds4

About ethyl 2-fluoro-3-hydroxy-3-methylpentanoate

ethyl 2-fluoro-3-hydroxy-3-methylpentanoate (PubChem CID 13334105) has the molecular formula C8H15FO3 and a molecular weight of 178.20 g/mol. Its IUPAC name is ethyl 2-fluoro-3-hydroxy-3-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-hydroxy-3-methylpentanoate
PubChem CID13334105
Molecular FormulaC8H15FO3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Nameethyl 2-fluoro-3-hydroxy-3-methylpentanoate
SMILESCCOC(=O)C(F)C(C)(O)CC
InChIInChI=1S/C8H15FO3/c1-4-8(3,11)6(9)7(10)12-5-2/h6,11H,4-5H2,1-3H3
InChIKeyPIIFWLCJYMNGAH-UHFFFAOYSA-N
XLogP1.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-3-hydroxy-3-methylhexanoate
CID 79366281
ethyl (2S)-2-fluoro-3-hydroxy-3-methylbutanoate
CID 124511842
ethyl 2-fluoro-3-hydroxy-3-methyl-5-oxohexanoate
CID 102276690
ethyl 2-fluoro-4-methoxy-3,3-dimethylbutanoate
CID 170098763
diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate
CID 79366999
diethyl 2-(1,1-difluoro-2-methylpropan-2-yl)propanedioate
CID 129050677
ethyl 2-fluoro-3-hydroxy-3-(4-hydroxyphenyl)pentanoate
CID 79366102
ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate
CID 79366919
ethyl (2S)-2,3-difluoropropanoate
CID 129363096
ethyl 3-(2-bromophenyl)-2-fluoro-3-hydroxybutanoate
CID 79366646
diethyl (2S,3R)-2,3-dichlorobutanedioate
CID 13402517

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-hydroxy-3-methylpentanoate?
The IUPAC name of ethyl 2-fluoro-3-hydroxy-3-methylpentanoate (CID 13334105) is ethyl 2-fluoro-3-hydroxy-3-methylpentanoate.
What is the SMILES notation for ethyl 2-fluoro-3-hydroxy-3-methylpentanoate?
The canonical SMILES for ethyl 2-fluoro-3-hydroxy-3-methylpentanoate is CCOC(=O)C(F)C(C)(O)CC.
What is the InChIKey of ethyl 2-fluoro-3-hydroxy-3-methylpentanoate?
The InChIKey is PIIFWLCJYMNGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO3/c1-4-8(3,11)6(9)7(10)12-5-2/h6,11H,4-5H2,1-3H3.
What are the key properties of ethyl 2-fluoro-3-hydroxy-3-methylpentanoate?
ethyl 2-fluoro-3-hydroxy-3-methylpentanoate has a molecular weight of 178.20 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-hydroxy-3-methylpentanoate is sourced from PubChem (CID 13334105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).