2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid

C7H10F2O4 — CID 82717347

IUPAC2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid
SMILESCC1OCCC1(O)C(F)(F)C(=O)O
InChIInChI=1S/C7H10F2O4/c1-4-6(12,2-3-13-4)7(8,9)5(10)11/h4,12H,2-3H2,1H3,(H,10,11)
InChIKeyNXJYNUPLSJWRBR-UHFFFAOYSA-N
MW196.15 g/mol
LogP0.25
Rot. Bonds2

About 2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid

2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid (PubChem CID 82717347) has the molecular formula C7H10F2O4 and a molecular weight of 196.15 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid
PubChem CID82717347
Molecular FormulaC7H10F2O4
Molecular Weight196.15 g/mol
Exact Mass196.05
IUPAC Name2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid
SMILESCC1OCCC1(O)C(F)(F)C(=O)O
InChIInChI=1S/C7H10F2O4/c1-4-6(12,2-3-13-4)7(8,9)5(10)11/h4,12H,2-3H2,1H3,(H,10,11)
InChIKeyNXJYNUPLSJWRBR-UHFFFAOYSA-N
XLogP0.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid (CID 82717347) is 2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid is CC1OCCC1(O)C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid?
The InChIKey is NXJYNUPLSJWRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O4/c1-4-6(12,2-3-13-4)7(8,9)5(10)11/h4,12H,2-3H2,1H3,(H,10,11).
What are the key properties of 2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid?
2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid has a molecular weight of 196.15 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid is sourced from PubChem (CID 82717347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).