2-(4,4-difluorothiolan-3-yl)acetic acid

C6H8F2O2S — CID 84768675

IUPAC2-(4,4-difluorothiolan-3-yl)acetic acid
SMILESO=C(O)CC1CSCC1(F)F
InChIInChI=1S/C6H8F2O2S/c7-6(8)3-11-2-4(6)1-5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyUBXOQTYGZWICIC-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.46
Rot. Bonds2

About 2-(4,4-difluorothiolan-3-yl)acetic acid

2-(4,4-difluorothiolan-3-yl)acetic acid (PubChem CID 84768675) has the molecular formula C6H8F2O2S and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-(4,4-difluorothiolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4,4-difluorothiolan-3-yl)acetic acid
PubChem CID84768675
Molecular FormulaC6H8F2O2S
Molecular Weight182.19 g/mol
Exact Mass182.02
IUPAC Name2-(4,4-difluorothiolan-3-yl)acetic acid
SMILESO=C(O)CC1CSCC1(F)F
InChIInChI=1S/C6H8F2O2S/c7-6(8)3-11-2-4(6)1-5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyUBXOQTYGZWICIC-UHFFFAOYSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorothiolan-3-yl)acetic acid?
The IUPAC name of 2-(4,4-difluorothiolan-3-yl)acetic acid (CID 84768675) is 2-(4,4-difluorothiolan-3-yl)acetic acid.
What is the SMILES notation for 2-(4,4-difluorothiolan-3-yl)acetic acid?
The canonical SMILES for 2-(4,4-difluorothiolan-3-yl)acetic acid is O=C(O)CC1CSCC1(F)F.
What is the InChIKey of 2-(4,4-difluorothiolan-3-yl)acetic acid?
The InChIKey is UBXOQTYGZWICIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2S/c7-6(8)3-11-2-4(6)1-5(9)10/h4H,1-3H2,(H,9,10).
What are the key properties of 2-(4,4-difluorothiolan-3-yl)acetic acid?
2-(4,4-difluorothiolan-3-yl)acetic acid has a molecular weight of 182.19 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorothiolan-3-yl)acetic acid is sourced from PubChem (CID 84768675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).