2,2-difluoro-3-hydroxy-4-methylpentanoic acid

C6H10F2O3 — CID 62398254

IUPAC2,2-difluoro-3-hydroxy-4-methylpentanoic acid
SMILESCC(C)C(O)C(F)(F)C(=O)O
InChIInChI=1S/C6H10F2O3/c1-3(2)4(9)6(7,8)5(10)11/h3-4,9H,1-2H3,(H,10,11)
InChIKeyRPDGATXUWOOFSA-UHFFFAOYSA-N
MW168.14 g/mol
LogP0.72
Rot. Bonds3

About 2,2-difluoro-3-hydroxy-4-methylpentanoic acid

2,2-difluoro-3-hydroxy-4-methylpentanoic acid (PubChem CID 62398254) has the molecular formula C6H10F2O3 and a molecular weight of 168.14 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-4-methylpentanoic acid
PubChem CID62398254
Molecular FormulaC6H10F2O3
Molecular Weight168.14 g/mol
Exact Mass168.06
IUPAC Name2,2-difluoro-3-hydroxy-4-methylpentanoic acid
SMILESCC(C)C(O)C(F)(F)C(=O)O
InChIInChI=1S/C6H10F2O3/c1-3(2)4(9)6(7,8)5(10)11/h3-4,9H,1-2H3,(H,10,11)
InChIKeyRPDGATXUWOOFSA-UHFFFAOYSA-N
XLogP0.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3-hydroxy-5-methoxy-4-methylpentanoic acid
CID 116503142
2,2-difluoro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 10513528
(3S)-2,2-difluoro-3-hydroxybutanedioic acid
CID 130639974
(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid
CID 45086732
3-acetyloxy-2,2-difluoro-4-methylpentanoic acid
CID 164747279
3-ethyl-2,2-difluoropentanoic acid
CID 53443922
2,2-difluoro-4-methyl-3-methylsulfanylcarbonyloxypentanoic acid
CID 168744782
3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid
CID 62397462
CID 161280820
CID 161280820
2,3-dihydroxy-4-methyl-2-propylpentanoic acid
CID 139902815
3-(2,2-dimethylpropanoyloxy)-2,2-difluorobutanoic acid
CID 164747254
2,2-difluoro-3-hydroxy-6-oxoheptanoic acid
CID 11217802

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-4-methylpentanoic acid?
The IUPAC name of 2,2-difluoro-3-hydroxy-4-methylpentanoic acid (CID 62398254) is 2,2-difluoro-3-hydroxy-4-methylpentanoic acid.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-4-methylpentanoic acid?
The canonical SMILES for 2,2-difluoro-3-hydroxy-4-methylpentanoic acid is CC(C)C(O)C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-3-hydroxy-4-methylpentanoic acid?
The InChIKey is RPDGATXUWOOFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3/c1-3(2)4(9)6(7,8)5(10)11/h3-4,9H,1-2H3,(H,10,11).
What are the key properties of 2,2-difluoro-3-hydroxy-4-methylpentanoic acid?
2,2-difluoro-3-hydroxy-4-methylpentanoic acid has a molecular weight of 168.14 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-4-methylpentanoic acid is sourced from PubChem (CID 62398254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).