2-(3,3-difluoropropylsulfinyl)acetic acid

C5H8F2O3S — CID 88538788

IUPAC2-(3,3-difluoropropylsulfinyl)acetic acid
SMILESO=C(O)CS(=O)CCC(F)F
InChIInChI=1S/C5H8F2O3S/c6-4(7)1-2-11(10)3-5(8)9/h4H,1-3H2,(H,8,9)
InChIKeyCVPCIDVOFMSWPK-UHFFFAOYSA-N
MW186.18 g/mol
LogP0.47
Rot. Bonds5

About 2-(3,3-difluoropropylsulfinyl)acetic acid

2-(3,3-difluoropropylsulfinyl)acetic acid (PubChem CID 88538788) has the molecular formula C5H8F2O3S and a molecular weight of 186.18 g/mol. Its IUPAC name is 2-(3,3-difluoropropylsulfinyl)acetic acid.

Molecular Properties

Compound Name2-(3,3-difluoropropylsulfinyl)acetic acid
PubChem CID88538788
Molecular FormulaC5H8F2O3S
Molecular Weight186.18 g/mol
Exact Mass186.02
IUPAC Name2-(3,3-difluoropropylsulfinyl)acetic acid
SMILESO=C(O)CS(=O)CCC(F)F
InChIInChI=1S/C5H8F2O3S/c6-4(7)1-2-11(10)3-5(8)9/h4H,1-3H2,(H,8,9)
InChIKeyCVPCIDVOFMSWPK-UHFFFAOYSA-N
XLogP0.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropropylsulfinyl)acetic acid?
The IUPAC name of 2-(3,3-difluoropropylsulfinyl)acetic acid (CID 88538788) is 2-(3,3-difluoropropylsulfinyl)acetic acid.
What is the SMILES notation for 2-(3,3-difluoropropylsulfinyl)acetic acid?
The canonical SMILES for 2-(3,3-difluoropropylsulfinyl)acetic acid is O=C(O)CS(=O)CCC(F)F.
What is the InChIKey of 2-(3,3-difluoropropylsulfinyl)acetic acid?
The InChIKey is CVPCIDVOFMSWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3S/c6-4(7)1-2-11(10)3-5(8)9/h4H,1-3H2,(H,8,9).
What are the key properties of 2-(3,3-difluoropropylsulfinyl)acetic acid?
2-(3,3-difluoropropylsulfinyl)acetic acid has a molecular weight of 186.18 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropropylsulfinyl)acetic acid is sourced from PubChem (CID 88538788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).