(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde

C8H11F2NO2 — CID 154298054

IUPAC(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde
SMILESO=C[C@@H]1[C@@H](C=O)CNC[C@H]1C(F)F
InChIInChI=1S/C8H11F2NO2/c9-8(10)6-2-11-1-5(3-12)7(6)4-13/h3-8,11H,1-2H2/t5-,6-,7-/m1/s1
InChIKeyRCRRWGYWWNSMLW-FSDSQADBSA-N
MW191.18 g/mol
LogP0.10
Rot. Bonds3

About (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde

(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde (PubChem CID 154298054) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde.

Molecular Properties

Compound Name(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde
PubChem CID154298054
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde
SMILESO=C[C@@H]1[C@@H](C=O)CNC[C@H]1C(F)F
InChIInChI=1S/C8H11F2NO2/c9-8(10)6-2-11-1-5(3-12)7(6)4-13/h3-8,11H,1-2H2/t5-,6-,7-/m1/s1
InChIKeyRCRRWGYWWNSMLW-FSDSQADBSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

5,5-Difluoropiperidine-3-carbaldehyde;ethane;methanamine
CID 153331044
2-(Trifluoromethyl)piperidine-3-carbaldehyde
CID 174302432
(3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde
CID 90074972
2,2-Difluoro-2-piperidin-3-ylacetaldehyde
CID 105432001
2,2-Difluoro-2-piperidin-4-ylacetaldehyde
CID 105432002
2,2-Difluoro-3-piperidin-3-ylpropanal
CID 105436769
2,2-Difluoro-3-piperidin-4-ylpropanal
CID 105436770
5,5-Difluoropiperidine-3-carbaldehyde
CID 153331045
4,4-Difluoropiperidine-3-carbaldehyde
CID 167730043
(3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde;hydrochloride
CID 90074971
Piperidine-3,4-dicarbaldehyde
CID 162486555
4,5-Dimethylpiperidine-3-carbaldehyde
CID 175331657

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde?
The IUPAC name of (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde (CID 154298054) is (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde.
What is the SMILES notation for (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde?
The canonical SMILES for (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde is O=C[C@@H]1[C@@H](C=O)CNC[C@H]1C(F)F.
What is the InChIKey of (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde?
The InChIKey is RCRRWGYWWNSMLW-FSDSQADBSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-8(10)6-2-11-1-5(3-12)7(6)4-13/h3-8,11H,1-2H2/t5-,6-,7-/m1/s1.
What are the key properties of (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde?
(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde has a molecular weight of 191.18 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde is sourced from PubChem (CID 154298054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).