1-(difluoromethyl)piperidine-4-carbaldehyde

C7H11F2NO — CID 62656642

IUPAC1-(difluoromethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(C(F)F)CC1
InChIInChI=1S/C7H11F2NO/c8-7(9)10-3-1-6(5-11)2-4-10/h5-7H,1-4H2
InChIKeyBYHPLMHQUPKCID-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.12
Rot. Bonds2

About 1-(difluoromethyl)piperidine-4-carbaldehyde

1-(difluoromethyl)piperidine-4-carbaldehyde (PubChem CID 62656642) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-(difluoromethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(difluoromethyl)piperidine-4-carbaldehyde
PubChem CID62656642
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-(difluoromethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(C(F)F)CC1
InChIInChI=1S/C7H11F2NO/c8-7(9)10-3-1-6(5-11)2-4-10/h5-7H,1-4H2
InChIKeyBYHPLMHQUPKCID-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(difluoromethyl)piperidine-4-carbaldehyde (CID 62656642) is 1-(difluoromethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(difluoromethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(difluoromethyl)piperidine-4-carbaldehyde is O=CC1CCN(C(F)F)CC1.
What is the InChIKey of 1-(difluoromethyl)piperidine-4-carbaldehyde?
The InChIKey is BYHPLMHQUPKCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9)10-3-1-6(5-11)2-4-10/h5-7H,1-4H2.
What are the key properties of 1-(difluoromethyl)piperidine-4-carbaldehyde?
1-(difluoromethyl)piperidine-4-carbaldehyde has a molecular weight of 163.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62656642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).