2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid

C9H12F2O3 — CID 164659745

IUPAC2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1(CC2CC2(F)F)CCCO1
InChIInChI=1S/C9H12F2O3/c10-9(11)5-6(9)4-8(7(12)13)2-1-3-14-8/h6H,1-5H2,(H,12,13)
InChIKeyRIDDMNYTLGPCLM-UHFFFAOYSA-N
MW206.19 g/mol
LogP1.67
Rot. Bonds3

About 2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid

2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid (PubChem CID 164659745) has the molecular formula C9H12F2O3 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid
PubChem CID164659745
Molecular FormulaC9H12F2O3
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1(CC2CC2(F)F)CCCO1
InChIInChI=1S/C9H12F2O3/c10-9(11)5-6(9)4-8(7(12)13)2-1-3-14-8/h6H,1-5H2,(H,12,13)
InChIKeyRIDDMNYTLGPCLM-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid (CID 164659745) is 2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid is O=C(O)C1(CC2CC2(F)F)CCCO1.
What is the InChIKey of 2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid?
The InChIKey is RIDDMNYTLGPCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O3/c10-9(11)5-6(9)4-8(7(12)13)2-1-3-14-8/h6H,1-5H2,(H,12,13).
What are the key properties of 2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid?
2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid has a molecular weight of 206.19 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluorocyclopropyl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 164659745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).