2-(3,5-difluorophenyl)oxolane-3-carboxylic acid

C11H10F2O3 — CID 106534410

IUPAC2-(3,5-difluorophenyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1CCOC1c1cc(F)cc(F)c1
InChIInChI=1S/C11H10F2O3/c12-7-3-6(4-8(13)5-7)10-9(11(14)15)1-2-16-10/h3-5,9-10H,1-2H2,(H,14,15)
InChIKeyNTSOTXKAUMIIKW-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.13
Rot. Bonds2

About 2-(3,5-difluorophenyl)oxolane-3-carboxylic acid

2-(3,5-difluorophenyl)oxolane-3-carboxylic acid (PubChem CID 106534410) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)oxolane-3-carboxylic acid
PubChem CID106534410
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name2-(3,5-difluorophenyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1CCOC1c1cc(F)cc(F)c1
InChIInChI=1S/C11H10F2O3/c12-7-3-6(4-8(13)5-7)10-9(11(14)15)1-2-16-10/h3-5,9-10H,1-2H2,(H,14,15)
InChIKeyNTSOTXKAUMIIKW-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13884
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CID 123302
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CID 11127932
4-Acetyl-5-phenyloxolan-2-one
CID 3040835
4-Butyl-3-methylidene-5-phenyloxolan-2-one
CID 15646352
Methyl 2-[acetyloxy-(4-fluorophenyl)methyl]prop-2-enoate
CID 10705944
5-(4-Fluorophenyl)dihydro-3-methylene-2(3H)-furanone
CID 11106191
7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, benzyl ester, exo-(Z)-
CID 207738
2(3H)-Furanone, 4,5-dihydro-4-acetyl-5-(p-tolyl)-, (E)-
CID 21789883
4-Methyl-3-methylidene-5-phenyloxolan-2-one
CID 11446798
(4S,5R)-4-methyl-3-methylidene-5-phenyloxolan-2-one
CID 13483239
5-Oxo-2-phenyloxolane-3-carboxylic acid
CID 202845

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-(3,5-difluorophenyl)oxolane-3-carboxylic acid (CID 106534410) is 2-(3,5-difluorophenyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-(3,5-difluorophenyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-(3,5-difluorophenyl)oxolane-3-carboxylic acid is O=C(O)C1CCOC1c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)oxolane-3-carboxylic acid?
The InChIKey is NTSOTXKAUMIIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-7-3-6(4-8(13)5-7)10-9(11(14)15)1-2-16-10/h3-5,9-10H,1-2H2,(H,14,15).
What are the key properties of 2-(3,5-difluorophenyl)oxolane-3-carboxylic acid?
2-(3,5-difluorophenyl)oxolane-3-carboxylic acid has a molecular weight of 228.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 106534410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).