2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid

C7H13FO3 — CID 79367172

IUPAC2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid
SMILESCC(C)C(C)(O)C(F)C(=O)O
InChIInChI=1S/C7H13FO3/c1-4(2)7(3,11)5(8)6(9)10/h4-5,11H,1-3H3,(H,9,10)
InChIKeyYRCVGYRNBRECNU-UHFFFAOYSA-N
MW164.18 g/mol
LogP0.82
Rot. Bonds3

About 2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid

2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid (PubChem CID 79367172) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid
PubChem CID79367172
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid
SMILESCC(C)C(C)(O)C(F)C(=O)O
InChIInChI=1S/C7H13FO3/c1-4(2)7(3,11)5(8)6(9)10/h4-5,11H,1-3H3,(H,9,10)
InChIKeyYRCVGYRNBRECNU-UHFFFAOYSA-N
XLogP0.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-hydroxy-2-methylbutanedioic acid
CID 141001148
2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid
CID 62487077
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
alumane;2-fluoropropanoic acid
CID 173229818
(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide
CID 140943328
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
2-tert-butylsulfinylpropanoic acid
CID 61301967
carbonic acid;1,2-difluoropropane-1,2-diol
CID 146624455
3-bromo-2,3,3-trifluoropropanoic acid
CID 139796309
tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate
CID 66337083
2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid
CID 79366706
(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid (CID 79367172) is 2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid is CC(C)C(C)(O)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid?
The InChIKey is YRCVGYRNBRECNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3/c1-4(2)7(3,11)5(8)6(9)10/h4-5,11H,1-3H3,(H,9,10).
What are the key properties of 2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid?
2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid has a molecular weight of 164.18 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid is sourced from PubChem (CID 79367172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).