methyl 3-fluoro-2-hydroxy-3-methylbutanoate

C6H11FO3 — CID 15136874

IUPACmethyl 3-fluoro-2-hydroxy-3-methylbutanoate
SMILESCOC(=O)C(O)C(C)(C)F
InChIInChI=1S/C6H11FO3/c1-6(2,7)4(8)5(9)10-3/h4,8H,1-3H3
InChIKeyZYWUCOZGXHCKIK-UHFFFAOYSA-N
MW150.15 g/mol
LogP0.27
Rot. Bonds2

About methyl 3-fluoro-2-hydroxy-3-methylbutanoate

methyl 3-fluoro-2-hydroxy-3-methylbutanoate (PubChem CID 15136874) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is methyl 3-fluoro-2-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-hydroxy-3-methylbutanoate
PubChem CID15136874
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Namemethyl 3-fluoro-2-hydroxy-3-methylbutanoate
SMILESCOC(=O)C(O)C(C)(C)F
InChIInChI=1S/C6H11FO3/c1-6(2,7)4(8)5(9)10-3/h4,8H,1-3H3
InChIKeyZYWUCOZGXHCKIK-UHFFFAOYSA-N
XLogP0.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
methyl (2R)-2-amino-3-fluoro-3-methylbutanoate
CID 91978307
dimethyl (2S,3S)-2,3-dihydroxy-2-methylbutanedioate
CID 59873550
dimethyl 2,3-dihydroxy-2-methylbutanedioate
CID 22946220
methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate
CID 102460935
methyl 2-bromo-3,3,3-trifluoropropanoate
CID 2782385
methyl (2S,3R)-4,4,4-trifluoro-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 134857565
methyl 4,4,4-trifluoro-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 131841417
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
ditert-butyl methyl methanetricarboxylate
CID 45278404
methyl (2S,3R)-4-tert-butylsulfanyl-2,3-dihydroxy-4-oxobutanoate
CID 10704961
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2-hydroxy-3-methylbutanoate?
The IUPAC name of methyl 3-fluoro-2-hydroxy-3-methylbutanoate (CID 15136874) is methyl 3-fluoro-2-hydroxy-3-methylbutanoate.
What is the SMILES notation for methyl 3-fluoro-2-hydroxy-3-methylbutanoate?
The canonical SMILES for methyl 3-fluoro-2-hydroxy-3-methylbutanoate is COC(=O)C(O)C(C)(C)F.
What is the InChIKey of methyl 3-fluoro-2-hydroxy-3-methylbutanoate?
The InChIKey is ZYWUCOZGXHCKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3/c1-6(2,7)4(8)5(9)10-3/h4,8H,1-3H3.
What are the key properties of methyl 3-fluoro-2-hydroxy-3-methylbutanoate?
methyl 3-fluoro-2-hydroxy-3-methylbutanoate has a molecular weight of 150.15 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2-hydroxy-3-methylbutanoate is sourced from PubChem (CID 15136874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).