3,4-difluoro-2,2-dimethylbutanoic acid

C6H10F2O2 — CID 175217464

IUPAC3,4-difluoro-2,2-dimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(F)CF
InChIInChI=1S/C6H10F2O2/c1-6(2,5(9)10)4(8)3-7/h4H,3H2,1-2H3,(H,9,10)
InChIKeyJUSJDKJRVGUWOP-UHFFFAOYSA-N
MW152.14 g/mol
LogP1.40
Rot. Bonds3

About 3,4-difluoro-2,2-dimethylbutanoic acid

3,4-difluoro-2,2-dimethylbutanoic acid (PubChem CID 175217464) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is 3,4-difluoro-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name3,4-difluoro-2,2-dimethylbutanoic acid
PubChem CID175217464
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name3,4-difluoro-2,2-dimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(F)CF
InChIInChI=1S/C6H10F2O2/c1-6(2,5(9)10)4(8)3-7/h4H,3H2,1-2H3,(H,9,10)
InChIKeyJUSJDKJRVGUWOP-UHFFFAOYSA-N
XLogP1.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2,2-dimethylpent-4-enoic acid
CID 55302929
2,3,3-trifluoro-2-methylpropanoic acid
CID 20511543
2,2-dimethyl-3-sulfanylbutanoic acid
CID 87558354
(3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid
CID 141061914
3-ethyl-2,2-dimethyl-4-oxopentanoic acid
CID 174469035
(3R)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380206
magnesium;hydride;2,2,3-trimethylpentanoic acid
CID 175225022
2,2,3-trimethyl-4-oxohexanoic acid
CID 88507803
silver;2,2,3,5-tetramethylhexanoic acid
CID 169177774
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);2,2,3-trimethylbutanoic acid
CID 159916720
3-(bromomethyl)-2,2,4,4-tetramethylpentanoic acid
CID 175215651
(3S)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380205

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2,2-dimethylbutanoic acid?
The IUPAC name of 3,4-difluoro-2,2-dimethylbutanoic acid (CID 175217464) is 3,4-difluoro-2,2-dimethylbutanoic acid.
What is the SMILES notation for 3,4-difluoro-2,2-dimethylbutanoic acid?
The canonical SMILES for 3,4-difluoro-2,2-dimethylbutanoic acid is CC(C)(C(=O)O)C(F)CF.
What is the InChIKey of 3,4-difluoro-2,2-dimethylbutanoic acid?
The InChIKey is JUSJDKJRVGUWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-6(2,5(9)10)4(8)3-7/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of 3,4-difluoro-2,2-dimethylbutanoic acid?
3,4-difluoro-2,2-dimethylbutanoic acid has a molecular weight of 152.14 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2,2-dimethylbutanoic acid is sourced from PubChem (CID 175217464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).