2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid

C13H10F2O7 — CID 164746948

IUPAC2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid
SMILESO=C(OC1CCOC1=O)c1ccc(OC(F)(F)C(=O)O)cc1
InChIInChI=1S/C13H10F2O7/c14-13(15,12(18)19)22-8-3-1-7(2-4-8)10(16)21-9-5-6-20-11(9)17/h1-4,9H,5-6H2,(H,18,19)
InChIKeyPFFFMIIFMCQPKT-UHFFFAOYSA-N
MW316.21 g/mol
LogP1.22
Rot. Bonds5

About 2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid

2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid (PubChem CID 164746948) has the molecular formula C13H10F2O7 and a molecular weight of 316.21 g/mol. Its IUPAC name is 2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid
PubChem CID164746948
Molecular FormulaC13H10F2O7
Molecular Weight316.21 g/mol
Exact Mass316.04
IUPAC Name2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid
SMILESO=C(OC1CCOC1=O)c1ccc(OC(F)(F)C(=O)O)cc1
InChIInChI=1S/C13H10F2O7/c14-13(15,12(18)19)22-8-3-1-7(2-4-8)10(16)21-9-5-6-20-11(9)17/h1-4,9H,5-6H2,(H,18,19)
InChIKeyPFFFMIIFMCQPKT-UHFFFAOYSA-N
XLogP1.22
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid?
The IUPAC name of 2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid (CID 164746948) is 2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid is O=C(OC1CCOC1=O)c1ccc(OC(F)(F)C(=O)O)cc1.
What is the InChIKey of 2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid?
The InChIKey is PFFFMIIFMCQPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O7/c14-13(15,12(18)19)22-8-3-1-7(2-4-8)10(16)21-9-5-6-20-11(9)17/h1-4,9H,5-6H2,(H,18,19).
What are the key properties of 2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid?
2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid has a molecular weight of 316.21 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid is sourced from PubChem (CID 164746948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).