2,3-difluoropiperidine-2-carbaldehyde

C6H9F2NO — CID 174676335

IUPAC2,3-difluoropiperidine-2-carbaldehyde
SMILESO=CC1(F)NCCCC1F
InChIInChI=1S/C6H9F2NO/c7-5-2-1-3-9-6(5,8)4-10/h4-5,9H,1-3H2
InChIKeySOQIDFGRFVBHRE-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.57
Rot. Bonds1

About 2,3-difluoropiperidine-2-carbaldehyde

2,3-difluoropiperidine-2-carbaldehyde (PubChem CID 174676335) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 2,3-difluoropiperidine-2-carbaldehyde.

Molecular Properties

Compound Name2,3-difluoropiperidine-2-carbaldehyde
PubChem CID174676335
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name2,3-difluoropiperidine-2-carbaldehyde
SMILESO=CC1(F)NCCCC1F
InChIInChI=1S/C6H9F2NO/c7-5-2-1-3-9-6(5,8)4-10/h4-5,9H,1-3H2
InChIKeySOQIDFGRFVBHRE-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.57
H-Bond Donors ≤ 51
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 2,3-difluoropiperidine-2-carbaldehyde?
The IUPAC name of 2,3-difluoropiperidine-2-carbaldehyde (CID 174676335) is 2,3-difluoropiperidine-2-carbaldehyde.
What is the SMILES notation for 2,3-difluoropiperidine-2-carbaldehyde?
The canonical SMILES for 2,3-difluoropiperidine-2-carbaldehyde is O=CC1(F)NCCCC1F.
What is the InChIKey of 2,3-difluoropiperidine-2-carbaldehyde?
The InChIKey is SOQIDFGRFVBHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-5-2-1-3-9-6(5,8)4-10/h4-5,9H,1-3H2.
What are the key properties of 2,3-difluoropiperidine-2-carbaldehyde?
2,3-difluoropiperidine-2-carbaldehyde has a molecular weight of 149.14 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoropiperidine-2-carbaldehyde is sourced from PubChem (CID 174676335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).