4-ethyl-3,3-difluoropiperidine-1-carbaldehyde

C8H13F2NO — CID 88913127

IUPAC4-ethyl-3,3-difluoropiperidine-1-carbaldehyde
SMILESCCC1CCN(C=O)CC1(F)F
InChIInChI=1S/C8H13F2NO/c1-2-7-3-4-11(6-12)5-8(7,9)10/h6-7H,2-5H2,1H3
InChIKeyRDNPZNQXSAJFEG-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.51
Rot. Bonds2

About 4-ethyl-3,3-difluoropiperidine-1-carbaldehyde

4-ethyl-3,3-difluoropiperidine-1-carbaldehyde (PubChem CID 88913127) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 4-ethyl-3,3-difluoropiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-3,3-difluoropiperidine-1-carbaldehyde
PubChem CID88913127
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name4-ethyl-3,3-difluoropiperidine-1-carbaldehyde
SMILESCCC1CCN(C=O)CC1(F)F
InChIInChI=1S/C8H13F2NO/c1-2-7-3-4-11(6-12)5-8(7,9)10/h6-7H,2-5H2,1H3
InChIKeyRDNPZNQXSAJFEG-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethyl-3,3-difluoropiperidine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,3-difluoropiperidine-1-carbaldehyde?
The IUPAC name of 4-ethyl-3,3-difluoropiperidine-1-carbaldehyde (CID 88913127) is 4-ethyl-3,3-difluoropiperidine-1-carbaldehyde.
What is the SMILES notation for 4-ethyl-3,3-difluoropiperidine-1-carbaldehyde?
The canonical SMILES for 4-ethyl-3,3-difluoropiperidine-1-carbaldehyde is CCC1CCN(C=O)CC1(F)F.
What is the InChIKey of 4-ethyl-3,3-difluoropiperidine-1-carbaldehyde?
The InChIKey is RDNPZNQXSAJFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-2-7-3-4-11(6-12)5-8(7,9)10/h6-7H,2-5H2,1H3.
What are the key properties of 4-ethyl-3,3-difluoropiperidine-1-carbaldehyde?
4-ethyl-3,3-difluoropiperidine-1-carbaldehyde has a molecular weight of 177.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,3-difluoropiperidine-1-carbaldehyde is sourced from PubChem (CID 88913127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).