4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde

C10H17F2NO — CID 58394802

IUPAC4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde
SMILESCC(C)(C)C1CCN(C=O)CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-9(2,3)8-4-5-13(7-14)6-10(8,11)12/h7-8H,4-6H2,1-3H3
InChIKeyGFTKBQXJEJDGLG-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.15
Rot. Bonds1

About 4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde

4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde (PubChem CID 58394802) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde
PubChem CID58394802
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde
SMILESCC(C)(C)C1CCN(C=O)CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-9(2,3)8-4-5-13(7-14)6-10(8,11)12/h7-8H,4-6H2,1-3H3
InChIKeyGFTKBQXJEJDGLG-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde?
The IUPAC name of 4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde (CID 58394802) is 4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde.
What is the SMILES notation for 4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde?
The canonical SMILES for 4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde is CC(C)(C)C1CCN(C=O)CC1(F)F.
What is the InChIKey of 4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde?
The InChIKey is GFTKBQXJEJDGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-9(2,3)8-4-5-13(7-14)6-10(8,11)12/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde?
4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde has a molecular weight of 205.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,3-difluoropiperidine-1-carbaldehyde is sourced from PubChem (CID 58394802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).