2,3-difluoropiperidine-1-carbaldehyde

C6H9F2NO — CID 87612014

IUPAC2,3-difluoropiperidine-1-carbaldehyde
SMILESO=CN1CCCC(F)C1F
InChIInChI=1S/C6H9F2NO/c7-5-2-1-3-9(4-10)6(5)8/h4-6H,1-3H2
InChIKeyNRVCFRSJDTXBAP-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.87
Rot. Bonds1

About 2,3-difluoropiperidine-1-carbaldehyde

2,3-difluoropiperidine-1-carbaldehyde (PubChem CID 87612014) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 2,3-difluoropiperidine-1-carbaldehyde.

Molecular Properties

Compound Name2,3-difluoropiperidine-1-carbaldehyde
PubChem CID87612014
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name2,3-difluoropiperidine-1-carbaldehyde
SMILESO=CN1CCCC(F)C1F
InChIInChI=1S/C6H9F2NO/c7-5-2-1-3-9(4-10)6(5)8/h4-6H,1-3H2
InChIKeyNRVCFRSJDTXBAP-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-1-carbaldehyde?
The IUPAC name of 2,3-difluoropiperidine-1-carbaldehyde (CID 87612014) is 2,3-difluoropiperidine-1-carbaldehyde.
What is the SMILES notation for 2,3-difluoropiperidine-1-carbaldehyde?
The canonical SMILES for 2,3-difluoropiperidine-1-carbaldehyde is O=CN1CCCC(F)C1F.
What is the InChIKey of 2,3-difluoropiperidine-1-carbaldehyde?
The InChIKey is NRVCFRSJDTXBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-5-2-1-3-9(4-10)6(5)8/h4-6H,1-3H2.
What are the key properties of 2,3-difluoropiperidine-1-carbaldehyde?
2,3-difluoropiperidine-1-carbaldehyde has a molecular weight of 149.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoropiperidine-1-carbaldehyde is sourced from PubChem (CID 87612014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).