4-(fluoromethyl)piperidine-4-carbaldehyde

C7H12FNO — CID 84762887

IUPAC4-(fluoromethyl)piperidine-4-carbaldehyde
SMILESO=CC1(CF)CCNCC1
InChIInChI=1S/C7H12FNO/c8-5-7(6-10)1-3-9-4-2-7/h6,9H,1-5H2
InChIKeyVAJIMFVCZRLXLK-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.52
Rot. Bonds2

About 4-(fluoromethyl)piperidine-4-carbaldehyde

4-(fluoromethyl)piperidine-4-carbaldehyde (PubChem CID 84762887) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 4-(fluoromethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-(fluoromethyl)piperidine-4-carbaldehyde
PubChem CID84762887
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name4-(fluoromethyl)piperidine-4-carbaldehyde
SMILESO=CC1(CF)CCNCC1
InChIInChI=1S/C7H12FNO/c8-5-7(6-10)1-3-9-4-2-7/h6,9H,1-5H2
InChIKeyVAJIMFVCZRLXLK-UHFFFAOYSA-N
XLogP0.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.52
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-Fluoropiperidine-4-carbaldehyde
CID 105427575
4-Piperidinecarboxaldehyde, 3-fluoro-
CID 130893851
Piperidine-4-carbonyl fluoride
CID 142990461
(3R,4S)-3-fluoropiperidine-4-carbaldehyde
CID 171080186
4-(Fluoromethyl)piperidine-4-carboxamide
CID 84074657
4-(Difluoromethyl)piperidine-4-carbaldehyde
CID 84764567
4-(2-Fluoropropan-2-yl)piperidine-4-carbaldehyde
CID 84766495
4-(1,1-Difluoroethyl)piperidine-4-carbaldehyde
CID 84767288
2-Fluoro-2-piperidin-3-ylacetaldehyde
CID 105428768
2-Fluoro-2-piperidin-4-ylacetaldehyde
CID 105428769
4-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 165910760

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)piperidine-4-carbaldehyde?
The IUPAC name of 4-(fluoromethyl)piperidine-4-carbaldehyde (CID 84762887) is 4-(fluoromethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 4-(fluoromethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 4-(fluoromethyl)piperidine-4-carbaldehyde is O=CC1(CF)CCNCC1.
What is the InChIKey of 4-(fluoromethyl)piperidine-4-carbaldehyde?
The InChIKey is VAJIMFVCZRLXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-5-7(6-10)1-3-9-4-2-7/h6,9H,1-5H2.
What are the key properties of 4-(fluoromethyl)piperidine-4-carbaldehyde?
4-(fluoromethyl)piperidine-4-carbaldehyde has a molecular weight of 145.18 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 84762887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).