4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

C11H17F2NO4 — CID 10106900

IUPAC4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)O
InChIInChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-4-11(12,13)6-7(14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyBEYLYGCFFXJNQM-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.11
Rot. Bonds1

About 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (PubChem CID 10106900) has the molecular formula C11H17F2NO4 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
PubChem CID10106900
Molecular FormulaC11H17F2NO4
Molecular Weight265.26 g/mol
Exact Mass265.11
IUPAC Name4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)O
InChIInChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-4-11(12,13)6-7(14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyBEYLYGCFFXJNQM-UHFFFAOYSA-N
XLogP2.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (CID 10106900) is 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)O.
What is the InChIKey of 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The InChIKey is BEYLYGCFFXJNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-4-11(12,13)6-7(14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 10106900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).