2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid

C10H17F2NO2 — CID 161220301

IUPAC2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)C1N(C(=O)O)CCCC1(F)F
InChIInChI=1S/C10H17F2NO2/c1-9(2,3)7-10(11,12)5-4-6-13(7)8(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyUXKILBQBOXEXTD-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.81
Rot. Bonds

About 2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid

2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid (PubChem CID 161220301) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid
PubChem CID161220301
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)C1N(C(=O)O)CCCC1(F)F
InChIInChI=1S/C10H17F2NO2/c1-9(2,3)7-10(11,12)5-4-6-13(7)8(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyUXKILBQBOXEXTD-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid (CID 161220301) is 2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid is CC(C)(C)C1N(C(=O)O)CCCC1(F)F.
What is the InChIKey of 2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid?
The InChIKey is UXKILBQBOXEXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-9(2,3)7-10(11,12)5-4-6-13(7)8(14)15/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid?
2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid has a molecular weight of 221.25 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3-difluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 161220301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).