4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid

C9H14F3NO3 — CID 18446275

IUPAC4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(F)(COCC(F)F)CCN1
InChIInChI=1S/C9H14F3NO3/c10-7(11)4-16-5-9(12)1-2-13-6(3-9)8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyVEUZVORMLSAJED-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.81
Rot. Bonds5

About 4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid

4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid (PubChem CID 18446275) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid
PubChem CID18446275
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(F)(COCC(F)F)CCN1
InChIInChI=1S/C9H14F3NO3/c10-7(11)4-16-5-9(12)1-2-13-6(3-9)8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyVEUZVORMLSAJED-UHFFFAOYSA-N
XLogP0.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid?
The IUPAC name of 4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid (CID 18446275) is 4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid is O=C(O)C1CC(F)(COCC(F)F)CCN1.
What is the InChIKey of 4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid?
The InChIKey is VEUZVORMLSAJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-7(11)4-16-5-9(12)1-2-13-6(3-9)8(14)15/h6-7,13H,1-5H2,(H,14,15).
What are the key properties of 4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid?
4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid has a molecular weight of 241.21 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid is sourced from PubChem (CID 18446275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).