2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid

C6H10F2O3S — CID 81218226

IUPAC2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid
SMILESCC(C)CS(=O)C(F)(F)C(=O)O
InChIInChI=1S/C6H10F2O3S/c1-4(2)3-12(11)6(7,8)5(9)10/h4H,3H2,1-2H3,(H,9,10)
InChIKeySSRKAHYGXPSXTG-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.07
Rot. Bonds4

About 2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid

2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid (PubChem CID 81218226) has the molecular formula C6H10F2O3S and a molecular weight of 200.21 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid
PubChem CID81218226
Molecular FormulaC6H10F2O3S
Molecular Weight200.21 g/mol
Exact Mass200.03
IUPAC Name2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid
SMILESCC(C)CS(=O)C(F)(F)C(=O)O
InChIInChI=1S/C6H10F2O3S/c1-4(2)3-12(11)6(7,8)5(9)10/h4H,3H2,1-2H3,(H,9,10)
InChIKeySSRKAHYGXPSXTG-UHFFFAOYSA-N
XLogP1.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dimethylphenyl)methylsulfinyl]-2,2-difluoroacetic acid
CID 81217159
2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid
CID 81230859
2-[(4-chlorophenyl)methylsulfinyl]-2,2-difluoroacetic acid
CID 114790846
2,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 83831473
(2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
CID 139819668
3-methylbutanal;2,2,2-trifluoroacetic acid
CID 175965377
2-(4,4,4-trifluorobutylsulfinyl)propanoic acid
CID 115517790
3,3,3-trifluoro-2-(methylsulfinylmethyl)propanoic acid
CID 80997534
2-methyl-2-(2-methylpentylsulfinyl)propanoic acid
CID 81227544
2,2-difluoro-3-methylsulfinylpropanoic acid
CID 165467565
3,3,3-trifluoro-2-(2-methylpropylsulfinylmethyl)propan-1-amine
CID 103372577
dichloromethane;2,2,2-trifluoroacetic acid;tris(2-methylpropyl)silane
CID 173046687

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid (CID 81218226) is 2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid is CC(C)CS(=O)C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid?
The InChIKey is SSRKAHYGXPSXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3S/c1-4(2)3-12(11)6(7,8)5(9)10/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of 2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid?
2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid has a molecular weight of 200.21 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid is sourced from PubChem (CID 81218226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).