(3R,4S)-3-fluoropiperidine-4-carbaldehyde

C6H10FNO — CID 171080186

IUPAC(3R,4S)-3-fluoropiperidine-4-carbaldehyde
SMILESO=C[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C6H10FNO/c7-6-3-8-2-1-5(6)4-9/h4-6,8H,1-3H2/t5-,6-/m0/s1
InChIKeyOIOCGVUOKKWNDX-WDSKDSINSA-N
MW131.15 g/mol
LogP0.13
Rot. Bonds1

About (3R,4S)-3-fluoropiperidine-4-carbaldehyde

(3R,4S)-3-fluoropiperidine-4-carbaldehyde (PubChem CID 171080186) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (3R,4S)-3-fluoropiperidine-4-carbaldehyde.

Molecular Properties

Compound Name(3R,4S)-3-fluoropiperidine-4-carbaldehyde
PubChem CID171080186
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(3R,4S)-3-fluoropiperidine-4-carbaldehyde
SMILESO=C[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C6H10FNO/c7-6-3-8-2-1-5(6)4-9/h4-6,8H,1-3H2/t5-,6-/m0/s1
InChIKeyOIOCGVUOKKWNDX-WDSKDSINSA-N
XLogP0.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Piperidinecarboxaldehyde
CID 14495648
4-Piperidineacetaldehyde
CID 23401441
3-Fluoropiperidine-4-carboxamide
CID 84074387
4-Fluoropiperidine-4-carbaldehyde
CID 105427575
(2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde
CID 118902444
2-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118902455
4-Piperidinecarboxaldehyde, 3-fluoro-
CID 130893851
1-Fluoropiperidine-4-carbaldehyde
CID 140440149
Piperidine-4-carbonyl fluoride
CID 142990461
(3R,4S)-3-fluoro-1-methylpiperidine-4-carbaldehyde
CID 169685201
1-(2-Fluoroethyl)piperidine-4-carbaldehyde
CID 80694973
4-(Fluoromethyl)piperidine-4-carbaldehyde
CID 84762887

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoropiperidine-4-carbaldehyde?
The IUPAC name of (3R,4S)-3-fluoropiperidine-4-carbaldehyde (CID 171080186) is (3R,4S)-3-fluoropiperidine-4-carbaldehyde.
What is the SMILES notation for (3R,4S)-3-fluoropiperidine-4-carbaldehyde?
The canonical SMILES for (3R,4S)-3-fluoropiperidine-4-carbaldehyde is O=C[C@@H]1CCNC[C@@H]1F.
What is the InChIKey of (3R,4S)-3-fluoropiperidine-4-carbaldehyde?
The InChIKey is OIOCGVUOKKWNDX-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10FNO/c7-6-3-8-2-1-5(6)4-9/h4-6,8H,1-3H2/t5-,6-/m0/s1.
What are the key properties of (3R,4S)-3-fluoropiperidine-4-carbaldehyde?
(3R,4S)-3-fluoropiperidine-4-carbaldehyde has a molecular weight of 131.15 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoropiperidine-4-carbaldehyde is sourced from PubChem (CID 171080186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).