2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde

C11H19F2NO — CID 105474078

IUPAC2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde
SMILESCC(C)(C)N1CCCC(C(F)(F)C=O)C1
InChIInChI=1S/C11H19F2NO/c1-10(2,3)14-6-4-5-9(7-14)11(12,13)8-15/h8-9H,4-7H2,1-3H3
InChIKeyUMPOIIOBDOAFBU-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.33
Rot. Bonds2

About 2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde

2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde (PubChem CID 105474078) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde.

Molecular Properties

Compound Name2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde
PubChem CID105474078
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde
SMILESCC(C)(C)N1CCCC(C(F)(F)C=O)C1
InChIInChI=1S/C11H19F2NO/c1-10(2,3)14-6-4-5-9(7-14)11(12,13)8-15/h8-9H,4-7H2,1-3H3
InChIKeyUMPOIIOBDOAFBU-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde?
The IUPAC name of 2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde (CID 105474078) is 2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde.
What is the SMILES notation for 2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde?
The canonical SMILES for 2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde is CC(C)(C)N1CCCC(C(F)(F)C=O)C1.
What is the InChIKey of 2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde?
The InChIKey is UMPOIIOBDOAFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-10(2,3)14-6-4-5-9(7-14)11(12,13)8-15/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde?
2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde has a molecular weight of 219.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpiperidin-3-yl)-2,2-difluoroacetaldehyde is sourced from PubChem (CID 105474078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).